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Profile: Guangzhou Wanqian Pharmaceutical Technology Co., LTD specializes in research and development of pharmaceutical intermediates and fine chemical products. Our pharmaceutical raw materials are entecavit entecavir, fluocinonide acetate, dibazole, argatroban, levosimendan, azelnidipine, adapalene, dofetilide, anagrelide, adefovir dipivoxil, alendronate, amorolfine hydrochloride, mitiglinide calcium, piperazine hydrochloride, clofarabine chlorines and brompheniramine maleate.

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• Aliskiren
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula: C30H53N3O6Molecular Weight: 551.758320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Aliskiren hemifumarate
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (E)-but-2-enedioic acid | CAS Registry Number: 173334-58-2
Synonyms: Tekturna, Enviage, Rasilez, Riprazo, Sprimeo, Aliskiren fumarate, Tekturna (TN), Aliskiren fumarate (JAN), SPP-100B, SPP-100, CGP-60536B, CGP-60536, D06412

Molecular Formula: C64H110N6O16Molecular Weight: 1219.588800 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 18

InChIKey: KLRSDBSKUSSCGU-KRQUFFFQSA-N

• Androst-2-En-17-One (CAS: 183339-16-7)
• Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline | CAS Registry Number: 641571-11-1
Synonyms: 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, SBB070660, 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, AG-G-40451, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE, AGN-PC-00JLUU, SureCN589390, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, BEN745, CTK2F2674, MolPort-008-155-922, ANW-54160, AKOS015842181, MB10071, RP28481, AK-38398, BR-38398, KB-27154, AB1004626, A8805

Molecular Formula: C11H10F3N3Molecular Weight: 241.212410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WWTGXYAJVXKEKL-UHFFFAOYSA-N

• Benzene, [[(2S)-2-(bromomethyl)-3-methylbutoxy]methyl]-
IUPAC Name: [(2S)-2-(bromomethyl)-3-methylbutoxy]methylbenzene | CAS Registry Number: 172901-00-7
Synonyms: 1-(((S)-2-(Bromomethyl)-3-methylbutoxy)methyl)benzene, SureCN1132894, CTK0H3551, ANW-66632, SBB063319, ZINC34639378, AKOS015888740, AG-E-22309, RP29637, AK-33682, KB-212256, FT-0645499, I14-35915, (2S)-(benzyloxymethyl)-3-methyl-butyl bromide;Aliskiren inter-12;2(S)-Bromomethyl-3-methyl-butyl-benzylether;((2-(bromomethyl)-3-methylbutoxy)methyl)benzene;2-( S )-Bromomethyl-3-Methylbutyl Benzyl Ether;[[2-(bromomethyl)-3-methylbutoxy]methyl]-, (S)-benzene;

Molecular Formula: C13H19BrOMolecular Weight: 271.193360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ADRDHWGOETUEBH-CYBMUJFWSA-N

• Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
IUPAC Name: 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene | CAS Registry Number: 172900-69-5
Synonyms: 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene, AG-E-22303, (R)-4-(2-(BROMOMETHYL)-3-METHYLBUTYL)-1-METHOXY-2-(3-METHOXYPROPOXY)BENZENE, (R)-4-[2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene, SureCN4300111, CTK4D4409, ANW-48329, SBB070983, ZINC38548618, AKOS015851736, AKOS015888737, AK-33680, BR-33680, AM20090747, X0116, (2R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl bromide, Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-;

Molecular Formula: C17H27BrO3Molecular Weight: 359.298480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ICJBMWOVLFPLFP-HNNXBMFYSA-N

• Benzoic acid, 4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester
IUPAC Name: ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate | CAS Registry Number: 179688-26-7
Synonyms: Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate, 4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester, SureCN264575, Ethyl 4,5-bis(2-methoxyethoxy)-2-nitro-benzoate, CTK4D7356, MolPort-009-199-506, ANW-59584, SBB063310, ZINC38343034, AKOS015888609, AG-E-29984, QC-1092, AK-47956, KB-253189, FT-0656275, A812476, I01-1235, 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester;, Benzoic acid,4,5-bis(2-methoxyethoxy)-2-nitro-, ethyl ester

Molecular Formula: C15H21NO8Molecular Weight: 343.329140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VOHOFZNVWZWVMA-UHFFFAOYSA-N

• Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid | CAS Registry Number: 106261-48-7
Synonyms: 4-(4-Methylpiperazin-1-ylmethyl)benzoic Acid, 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid, SBB063308, AG-D-20558, 4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID, Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, ACMC-1BSQT, AC1NHR7G, SureCN65179, CTK4A4455, MolPort-000-999-430, ACN-S002933, ANW-51340, STK256888, AKOS000104860, AC-7235, MCULE-6449707200, RP28123, 4-(4-methylpiperazinomethyl)benzoic acid, AK-22217

Molecular Formula: C13H18N2O2Molecular Weight: 234.294220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZJUXJQSYXBYFFO-UHFFFAOYSA-N

• Benzoic Acid, 4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]amino]-
IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid | CAS Registry Number: 641569-94-0
Synonyms: 4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid, SBB063316, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzoicacid, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid, 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid, Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, 4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid, SureCN533540, BEN740, CTK8C3847, MolPort-008-155-923, ANW-70664, AKOS015888621, AK-93453, KB-86531, AB1004625, A8804, AM20090654, FT-0655847, I01-1255

Molecular Formula: C17H14N4O2Molecular Weight: 306.318660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LDLZPHLSVKGFSC-UHFFFAOYSA-N

• Canertinib dihydrochloride
IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide dihydrochloride | CAS Registry Number: 289499-45-2
Synonyms: Canertinib dihydrochloride [USAN], CI-1033, Canertinib dihydrochloride (USAN), CI1033, CI 1033, PD-183805, CID156413, PD 183805, PD-0183805, LS-185636, D03350, 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl) amino)-7-(3-(4-morpholinyl) propoxy)-6-quinazolinyl)-, dihydrochloride, N-(4-(3-chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide dihydrochloride, 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-, dihydrochloride

Molecular Formula: C24H27Cl3FN5O3Molecular Weight: 558.860283 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: JZZFDCXSFTVOJY-UHFFFAOYSA-N

• CP-380736
IUPAC Name: 6,7-bis(2-methoxyethoxy)-1H-quinazolin-4-one | CAS Registry Number: 179688-29-0
Synonyms: 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone, 6,7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4(3H)-ONE, AG-E-29986, 6,7-Bis(2-methoxyethoxy)-4(3H)-quinazolinone, 6,7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4-OL, 6,7-bis-(2-Methoxyethoxy)-quinazolin-4(3h)-one, 6,7-Bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one, ZINC04302043, AC1MDC7V, SureCN263796, SureCN263797, SureCN471137, KSC174K2R, CTK0H4528, CTK7B3690, MolPort-002-899-666, HMS1662H06, HMS3260F19, ACN-S002007, ANW-60710

Molecular Formula: C14H18N2O5Molecular Weight: 294.303120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PMQWTUWLIGJTQD-UHFFFAOYSA-N

• CVT-2738
IUPAC Name: 2-[(2-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid | CAS Registry Number: 5294-61-1

Molecular Formula: C16H15ClN2O3Molecular Weight: 318.754900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PGTUOOFJGHAMOZ-UHFFFAOYSA-N

• Cyclopentanol, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [1S-(1a,2b,3a,5b)]-
IUPAC Name: (2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-78-5
Synonyms: (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymethyl)cyclopentanol, CTK8E2646, AKOS015839300, AKOS015896675, RL01753, KB029209, FT-0688445, I06-2224, (2R,3S,5S)-3-(Benzyloxy)-5-[2-[[(4-methoxyphenyl)diphenylmet hyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-2-(benzyloxymeth yl)cyclopentanol

Molecular Formula: C52H49N5O5Molecular Weight: 823.975960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZLWZEFPIJWNPCO-WCYZHHTASA-N

• Cyclopentanol, 5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (1S,2S,3S,5S)-
IUPAC Name: (1S,2S,3S,5S)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol | CAS Registry Number: 142217-77-4
Synonyms: (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol, SureCN2519691, CYC088, CYC089, CTK8B4566, MolPort-009-197-935, ANW-45489, RW2435, AKOS015896664, AG-D-83712, AM84384, AK-33259, KB-00819, FT-0649264, FT-0686412, R3-04, W3096, A807869, I06-2208, (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benz yloxy)-2-(benzyloxymethyl)cyclopentanol

Molecular Formula: C32H33N5O4Molecular Weight: 551.635520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: SYPCZZWUNIHLBU-COROXYKFSA-N

• Dasatinib monohydrate
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide hydrate | CAS Registry Number: 863127-77-9
Synonyms: Dasatinib hydrate, Dasatinib hydrate (JAN), D06414

Molecular Formula: C22H28ClN7O3SMolecular Weight: 506.020820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

• Duloxetine
IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine | CAS Registry Number: 116539-59-4
Synonyms: duloxetine, Cymbalta, (S)-Duloxetine, Duloxetine HCl, (+-)-Duloxetine, Duloxetine [INN:BAN], duloxetine, (+)-isomer, C18H19NOS, MLS000758267, MLS001423946, DULOXETINE HYDROCHLORIDE, CHEBI:36795, HSDB 7368, LY 248686, PDSP1_000969, PDSP1_001385, PDSP2_000953, PDSP2_001369, DB00476, NCGC00164559-01

Molecular Formula: C18H19NOSMolecular Weight: 297.414560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

• Duloxetine hydrochloride
IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine hydrochloride | CAS Registry Number: 136434-34-9
Synonyms: Cymbalta, Duloxetine HCl, Ariclaim, Xeristar, Yentreve, Cymbalta (TN), DULOXETINE HYDROCHLORIDE, C18H19NOS.HCl, Duloxetine hydrochloride [USAN], MLS001401452, Duloxetine hydrochloride (JAN/USAN), CPD000469136, SAM001246523, SMR000469136, LS-172959, LY-248686, LY-264453, D01179, 2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, hydrochloride, (gammaS)-, (+)-N-methyl-gamma-(1-napthlenloxy)-2-thiophenepropan-amine hydrochloride

Molecular Formula: C18H20ClNOSMolecular Weight: 333.875500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BFFSMCNJSOPUAY-LMOVPXPDSA-N

• Erlotinib
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula: C22H23N3O4Molecular Weight: 393.435720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Erlotinib hydrochloride
IUPAC Name: N-(4-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride | CAS Registry Number: 183319-69-9
Synonyms: Tarceva, Tarceva (TN), Erlotinib hydrochloride (JAN/USAN), CID11954378, D04023

Molecular Formula: C22H24ClN3O4Molecular Weight: 429.896660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OMDIKDVVYHAXGO-UHFFFAOYSA-N

• Ethyl 3,4-Bis(2-Methoxyethoxy)benzoate
IUPAC Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate | CAS Registry Number: 183322-16-9
Synonyms: ethyl 3,4-bis(2-methoxyethoxy)benzoate, 3,4-Bis(2-methoxyethoxy)benzoic acid ethyl ester, AG-E-33054, ZINC04324147, AC1MDC6N, SureCN263238, KSC496Q7J, CTK3J6874, MolPort-002-899-657, ANW-54624, CCG-41047, SBB063312, AKOS000282910, AM84636, AK-47966, KB-77061, AB1006719, FT-0656916, A812767, 3,4-Bis(2-methoxyethoxy)benzoic acid ethyl ester;

Molecular Formula: C15H22O6Molecular Weight: 298.331580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VGFZRAVMWXHEJB-UHFFFAOYSA-N

• Ethyl 3,4-dihydroxybenzoate
IUPAC Name: ethyl 3,4-dihydroxybenzoate | CAS Registry Number: 3943-89-3
Synonyms: Ethyl protocatechuate, Ambap72, 3,4-DHBEEOP, E24859_ALDRICH, Protocatechuic acid ethyl ester, Protocatechuic acid, ethyl ester, AIDS018069, AIDS108197, AIDS-018069, AIDS-108197, CID77547, NSC86130, EINECS 223-529-0, NSC 86130, NSC619681, ZINC00403548, 3,4-Dihydroxybenzoic acid, ethyl ester, Benzoic acid, 3,4-dihydroxy-, ethyl ester, 3,4-Dihydroxybenzoic acid, Ethyl ester, homopolymer, Benzoic acid, 3,4-dihydroxy-, ethyl ester (9CI)

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N

• Ethyl 4,5-Bis(2-Methoxyethoxy)-2-Aminobenzoate
IUPAC Name: ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate | CAS Registry Number: 179688-27-8
Synonyms: Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate, Ethyl 4,5-bis(2-methoxyethoxy)-2-aminobenzoate, AG-E-29985, 4,5-BIS(2-METHOXYETHOXY)ANTHRANILIC ACID ETHYL ESTER, Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, SureCN264389, AGN-PC-007A3B, CTK4D7357, MolPort-009-199-507, ANW-52960, SBB063311, ZINC44460330, AKOS015888610, LS41053, QC-1093, AK-94215, AM20090626, FT-0083539, FT-0651481, ethyl 2-azanyl-4,5-bis(2-methoxyethoxy)benzoate

Molecular Formula: C15H23NO6Molecular Weight: 313.346220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YZOWMIHUDJVXBH-UHFFFAOYSA-N

• Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate | CAS Registry Number: 2199-59-9
Synonyms: NSC13426, ZINC01729614, SL-00002, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester

Molecular Formula: C10H13NO3Molecular Weight: 195.215120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GDISALBEIGGPER-UHFFFAOYSA-N

• Ethyl Methyl Carbomyl Chloride [EMCC]
IUPAC Name: N-ethyl-N-methylcarbamoyl chloride | CAS Registry Number: 42252-34-6
Synonyms: N-Ethyl-N-methylcarbamoyl chloride, ETHYLMETHYL-CARBAMIC CHLORIDE, N-Ethyl-N-methylcarbamoylchloride, Carbamic chloride, ethylmethyl-, N-Ethyl-N-methyl carbamoyl chloride, AG-F-50255, CARBAMIC CHLORIDE, N-ETHYL-N-METHYL-, PubChem16066, ethyl methyl-carbamic chloride, AGN-PC-0052HE, RIVASTIGMINE INTERMEDIATE, CTK4I5938, MolPort-005-938-477, ACN-S004417, ACT08763, Carbamic chloride,N-ethyl-N-methyl-, ETHYLMETHYL-CARBAMOYL CHLORIDE, FC0010, ZINC21992762, AKOS006285962

Molecular Formula: C4H8ClNOMolecular Weight: 121.565420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XZVYDRLPXWFRIS-UHFFFAOYSA-N

• FAAH-IN-2
IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol | CAS Registry Number: 184475-71-6
Synonyms: 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ol, 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, zlchem 556, SureCN8383, AGN-PC-0D0J0J, O-Desmorpholinopropyl Gefitinib, CTK4D8745, ZLC0421, MolPort-003-846-423, ANW-44858, ZINC22056459, AKOS015888617, AG-E-33988, LS40991, RL02351, AK-88763, AB1004619, KB-186543, AM20090618

Molecular Formula: C15H11ClFN3O2Molecular Weight: 319.718143 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JLVTVCRXFMLUIF-UHFFFAOYSA-N

• Gefitinib
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula: C22H24ClFN4O3Molecular Weight: 446.902363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Iguratimod
IUPAC Name: N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide | CAS Registry Number: 123663-49-0
Synonyms: Careram, Colvet, Kolbet, Iguratimod [INN], Iguratimod (JAN/INN), CID124246, NCGC00181783-01, T-614, T 614, D01146, 3-Formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one, Methanesulfonamide, N-(3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl)-

Molecular Formula: C17H14N2O6SMolecular Weight: 374.367860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ANMATWQYLIFGOK-UHFFFAOYSA-N

• Imatinib
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 152459-95-5
Synonyms: Glivec, Gleevec, Imatinib mesylate, 1iep, 1xbb, sti-571, nchembio.83-comp14, Imatinib [INN:BAN], Imatinib Methansulfonate, nchembio.117-comp23, STI 571, Cgp 57148, CGP 57148B, CCRIS 9076, STI571, STOCK6S-47743, CHEBI:45783, CID5291, DB00619, DB03261

Molecular Formula: C29H31N7OMolecular Weight: 493.602740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Isopropyl 2-(3-Nitrobenzylidene)acetoacetate
IUPAC Name: propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate | CAS Registry Number: 39562-25-9
Synonyms: AG-F-39799, AC1MZRKL, SureCN1499798, (E)-ISOPROPYL 2-(3-NITROBENZYLIDENE)-3-OXOBUTANOATE, CTK4I1523, ANW-45266, MCULE-6356661836, KB-254459, isopropyl 2-(3-nitrobenzylidene) acetacetate, Isopropyl 2-(m-nitrobenzylidene)acetoacetate;, A824619, propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate, 2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid propan-2-yl ester, Butanoic acid,2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester, propan-2-yl 2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Molecular Formula: C14H15NO5Molecular Weight: 277.272600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSZOTXZFYCRWQK-UHFFFAOYSA-N

• Lapatinib
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula: C29H26ClFN4O4SMolecular Weight: 581.057543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Lapatinib ditosylate monohydrate
IUPAC Name: benzenesulfonic acid; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; hydrate | CAS Registry Number: 388082-78-8
Synonyms: Tykerb, Lapatinib Ditosylate, Lapatinib Ditosylate [USAN], GW572016F, CID208909, LS-186595, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl), bis(4-methylbenzenesulfonate), monohydrate, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate) monohydrate

Molecular Formula: C41H40ClFN4O11S3Molecular Weight: 915.422903 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: CJCNEWWARIPAEG-UHFFFAOYSA-N

• Levosimendan dazinones intermediates
IUPAC Name: 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one | CAS Registry Number: 36725-28-7
Synonyms: Ici 109,081, ICI-109081, LS-129868, UR6330000, 6-(4'-Aminophenyl)-4,5-dihydro-5-methylpyridazin-3-one, 3(2H)-Pyridazinone, 4,5-dihydro-6-(p-aminophenyl)-5-methyl-, 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

Molecular Formula: C11H13N3OMolecular Weight: 203.240420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GDMRFHZLKNYRRO-UHFFFAOYSA-N

• Luminol
IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione | CAS Registry Number: 521-31-3
Synonyms: LUMINOL, 3-Aminophthalhydrazide, 3-Aminophthalic hydrazide, 3-Aminophthalylhydrazide, 3-Aminophthalic acid hydrazide, CCRIS 5962, Oprea1_698774, Oprea1_819727, 5-aminophthalazine-1,4-diol, A8511_SIGMA, 123072_ALDRICH, 5-Amino-2,3-dihydro-1,4-phthalazinedione, NSC 5064, EINECS 208-309-4, NSC5064 (FREE ACID), 1,4-Phthalazinedione, 5-amino-2,3-dihydro-, NSC5064, AIDS009151, BB_SC-2667, AIDS-009151

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: HWYHZTIRURJOHG-UHFFFAOYSA-N

• Methanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
IUPAC Name: N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide | CAS Registry Number: 147118-36-3
Synonyms: 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsufonyl)amino]pyrimidine-5-yl-methanol, 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol, 4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino) pyrimidin-5-methanol, N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide, N-[4-(4-Fluoro-phenyl)-5-hydroxymethyl-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide, PubChem23214, SureCN2690, MolPort-005-943-652, AC-447, ZINC22016627, AKOS015897401, RL01857, AK-29877, BR-29877, KB-55798, FT-0643399, ST51053496, W3209, A23364, ROSUVASTATIN CALCIUM INTERMEDIATE R-1-2

Molecular Formula: C16H20FN3O3SMolecular Weight: 353.411703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: MSDYDUNHTAYBHV-UHFFFAOYSA-N

• Methanesulfonamide, N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
IUPAC Name: N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide | CAS Registry Number: 147118-37-4
Synonyms: 4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino) pyrimidin-5-carboxaldehyde, 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl, MolPort-005-943-653, AC-446, ZINC22016632, AKOS015896174, AM84434, RL01858, AK-40695, KB-187063, F0867, FT-0654059, FT-0658211, ST51053193, X6289, I06-1683, I09-0366, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carbaldehyde, N-(4-(4-Fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide, N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide

Molecular Formula: C16H18FN3O3SMolecular Weight: 351.395823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: WOCOTUDOVSLFOB-UHFFFAOYSA-N

• N-(4-(2-Aminoacetyl)-5-Methoxy-2-Phenoxyphenyl)methanesulfonamide Hydrochloride
IUPAC Name: N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride | CAS Registry Number: 149436-41-9
Synonyms: N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride, ACMC-209usn, CTK0H3884, ANW-44181, AKOS015888750, AG-D-95583, AK-88856, BD228535, KB-258173, AM20090783, FT-0652091, ST51051593, A808892, I01-1268, 2-amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone hydrochloride, Methanesulfonamide, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, hydrochloride (1:1), N-[4-(2-amino-1-oxoethyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide hydrochloride, N-[4-(2-azanylethanoyl)-5-methoxy-2-phenoxy-phenyl]methanesulfonamide hydrochloride, methanesulfonamide, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, hydrochloride (1:1);N-(4-Glycyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride (1:1);2-Amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone hydrochloride;

Molecular Formula: C16H19ClN2O5SMolecular Weight: 386.850460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: NWUBXODWWYGUHS-UHFFFAOYSA-N

• N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
IUPAC Name: 4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine | CAS Registry Number: 152460-10-1
Synonyms: N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine, F9995-0188, 4-Methyl-N3-(4-phenylpyrimidine-2-yl)benzene-1,3-diamine, N-(5-Amino-2-methylphenyl)-4-(3-pridyl)-2-pyrimidineamine, 4-methyl-n'-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine, 4-Methyl-N'-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine, zlchem 1354, PubChem18212, SureCN2392, ACMC-209d7r, KSC174K2P, BEN021, CHEMBL278103, Jsp002938, CTK0H4527, ZLE0132, CHEBI:124728, MolPort-003-889-278, ACN-S002009, ACT04895

Molecular Formula: C16H15N5Molecular Weight: 277.323800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QGAIPGVQJVGBIA-UHFFFAOYSA-N

• N-{4-[4-(piperidinomethyl)pyridyl-2-Oxy]-Cis-2-Butene}phthalimide Maleate
IUPAC Name: but-2-enedioic acid;2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione | CAS Registry Number: 146447-26-9
Synonyms: (Z)-2-(4-((4-(Piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)isoindoline-1,3-dione maleate, CTK8B4372, N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid, ACT06269, ANW-44861, A808508, (Z)-2-(4-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)but-2-enyl)isoindoline-1,3-dione maleate, but-2-enedioic acid; 2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione, but-2-enedioic acid; 2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione

Molecular Formula: C27H29N3O7Molecular Weight: 507.535060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: CKMFWYSSYXTDBF-UHFFFAOYSA-N

• N-Methyl-4-nitrophenethylamine hydrochloride
IUPAC Name: N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride | CAS Registry Number: 166943-39-1
Synonyms: N-methyl-2-(4-nitrophenyl)ethanamine hydrochloride, N-Methyl-2-(4-nitrophenyl)ethylamine hydrochloride, SureCN3922824, ACMC-1C6F0, 68054_ALDRICH, 68054_FLUKA, CTK8C0020, MolPort-003-938-577, ANW-63892, SBB063208, AKOS015888237, AK-63611, N-METHYL-4-NITROPHENETHYLAMINE HCL, KB-125346, A810797, I01-0862, Methyl-[2-(4-nitro-phenyl)-ethyl]-amine hydrochloride

Molecular Formula: C9H13ClN2O2Molecular Weight: 216.664720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VGJDSNZOPPZCTB-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Propanamide, 3-amino-2,2-dimethyl-
IUPAC Name: 3-amino-2,2-dimethylpropanamide | CAS Registry Number: 324763-51-1
Synonyms: 3-amino-2,2-dimethylpropanamide, 3-AMINO-2,2-DIMETHYLPROPIONAMIDE, 3-amino-2,2-dimethyl-propanamide, SBB069781, AG-F-08586, 3-Amino-2,2-dimethylpropionic acid amide, PubChem23758, AC1Q1NL0, CTK3J6183, MolPort-005-942-927, 3-Amino-2,2-dimethyl-propylamide, 3-Amino-2,2-dimethylpropanamide;, 3-Amino-2,2-dimethyl-propionamide, ANW-51538, AKOS009580115, LS40458, MCULE-6885361465, PB29404, RP19249, RP19251

Molecular Formula: C5H12N2OMolecular Weight: 116.161580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKQZJXVIXAPOPZ-UHFFFAOYSA-N

• Ranolazine
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula: C24H33N3O4Molecular Weight: 427.536520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Ranolazine dihydrochloride
IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide dihydrochloride | CAS Registry Number: 95635-56-6
Synonyms: renolazine, Ranexa, RANOLAZINE, Ranolazine hydrochloride, Ambap1289, Ranolazine hydrochloride [USAN], R6152_SIGMA, Ranolazine hydrochloride (USAN), RS 43285, NCGC00094343-01, RS-43285, LS-109923, LS-172122, EU-0101062, D05701, RS 43285-193, (+-)-4-(2-Hydroxy-3-(o-methoxyphenoxy)propyl)-1-piperazineaceto-2',6'-xylidide dihydrochloride, 1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-, dihydrochloride, (+-)-, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-1-piperazineacetamide, () -4-[2-Hydroxy-3-(o-methoxyphenoxy)propyl]-1-piperazineaceto-2',6'-xylidide dihydrochloride

Molecular Formula: C24H35Cl2N3O4Molecular Weight: 500.458400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: RJNSNFZXAZXOFX-UHFFFAOYSA-N

• Rivastigmine
IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 123441-03-2
Synonyms: rivastigmine, Exelon, ENA 713 free base, Rivastigmine tartrate, Exelon (TN), Rivastigmine [USAN:INN], Rivastigmine (USAN/INN), Rivastigmine Hydrogen Tartrate, ENA 713, ENA-713, C14H22N2O2, CID77991, SDZ 212-713, DB00989, NCGC00167531-01, LS-172571, C11766, D03822, 3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate, (S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate

Molecular Formula: C14H22N2O2Molecular Weight: 250.336680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSVMFMHYUFZWBK-NSHDSACASA-N

• Rivastigmine (CAS: 320-67-4)
• Rivastigmine tartrate
IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 129101-54-8
Synonyms: Exelon, Rivastigmine hydrogentartrate, SDZ-ENA 713, ENA 713, ENA-713, CID77990, Carbamic acid, ethylmethyl-, 3-((1S)-1-(dimethylamino)ethyl)phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1), Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Molecular Formula: C18H28N2O8Molecular Weight: 400.423520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: GWHQHAUAXRMMOT-RWALOXMOSA-N

• Rocuronium bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula: C32H53BrN2O4Molecular Weight: 609.678220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• S-(+)-N,N-dimethyl-3-(1-naphthlenyloxy)-3-(2-thienyl)-propanamine
IUPAC Name: N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine | CAS Registry Number: 132335-46-7
Synonyms: (s)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine, S-(+)-N,N-Dimethyl-3-(1-Naphthlenyloxy)-3-(2-Thienyl)-Propanamine, Duloxetine.HCL, ACMC-20mugr, SureCN3592, AGN-PC-00BV0A, SureCN12342733, 2-Thiophenepropanamine,N,N-dimethyl-g-(1-naphthalenyloxy)-,(gS)-, ACT07224, AKOS015962082, AC-15713, FT-0652452, I01-1266, N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

Molecular Formula: C19H21NOSMolecular Weight: 311.441140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JFTURWWGPMTABQ-UHFFFAOYSA-N

• Sitagliptin
IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | CAS Registry Number: 486460-32-6
Synonyms: Sitagliptan, Sitagliptin phosphate, Januvia (merck & Co.), BSPBio_002262, CHEBI:40237, 1x70, MK-0431, CID4369359, DB01261, LS-187389, (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Molecular Formula: C16H15F6N5OMolecular Weight: 407.313619 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N


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