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Nanjing Legend Pharmaceutical & Chemical Co., Ltd.

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Contact: Lisa
Web: http://www.legendpharm.com
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Address: 14-7 Zhongsang Lu Guluo Distrlcit, Nanjing, Jiangsu 210009, China
Phone: +86-(25)-83172486 | Fax: +86-(25)-83172489 | Map/Directions >>

Profile: Nanjing Legend Pharmaceutical & Chemical Co., Ltd. is a pharmaceutical & chemical enterprise. We produce all kinds of products such as atazanavir, varenicline, lapatinib, ritonavir, and relative pharmaceutical intermediates. Our cisatracurium besylate includes r-tetrahydropapaverine n-acetyl-l-leucinate and (r)-tetrahydropapaverine hydrochloride. Our chlorantraniliprole intermediates are 3-bromo-1-(3-chloro-2-pyridinyl)-1h-pyrazole-5-carboxylic acid, 4-pyridazinecarboxylic acid, and 3,6-dichloropyridazine-4-carboxylic acid. We manufacture various custom chemicals including 2-(4-methylphenyl)propanoic acid, 2-(p-tolyl)propionic acid, piperidine-3-carboxamide, 4-cyanopiperidine, 1-boc-3-piperidinone, n-boc-4-aminocyclohexanone, 1-n-boc-5-oxo-1,4-diazepane, 1-cyclohexenyl acetic acid, 5-isopropylisooxazole-3-carboxylic acid, and 3-acetylthiophene.

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• Arecoline Hydrobromide
IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide | CAS Registry Number: 300-08-3
Synonyms: Arecoline hydrobromide, Taeniolin, Arecoline bromide, Prestwick_958, ARECOLINE HBr, Arekolinhydrobromid [German], C8H13NO2.HBr, MLS000028840, SPECTRUM1500680, 46063_RIEDEL, 10980_FLUKA, EINECS 206-087-3, NSC 31750, Arecaidine methyl ester hydrobromide, NCGC00093563-01, NCGC00093563-02, NCGC00093563-03, NCGC00093563-04, NCGC00093563-05, NCGC00093563-06

Molecular Formula: C8H14BrNO2Molecular Weight: 236.106260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AXOJRQLKMVSHHZ-UHFFFAOYSA-N

• Atazanavir Sulfate
IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid | CAS Registry Number: 229975-97-7
Synonyms: Reyataz, Atazanavir sulfate, Zrivada, Atanazavir sulfate, Reyataz (TN), Atazanavir sulfate [USAN], Atazanavir sulfate (JAN/USAN), BMS-232632-05, CGP-73547, CID158550, BMS-232632, LS-186585, D01276, 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Molecular Formula: C38H54N6O11SMolecular Weight: 802.933960 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 13

InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

• BDH Succinate Salt
IUPAC Name: butanedioic acid;tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 183388-64-9
Synonyms: BDH succinate salt, (2S,3S,5S)-5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane succinate, AKOS015900386, RP17803, V0267, (2S,3S,5S)-5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1, 6-diphenylhexane succinate

Molecular Formula: C50H70N4O10Molecular Weight: 887.111600 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: LAGICBLJBHDBSG-VVQWQMBKSA-N

• 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

• 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

• Cisatracurium Besilate (Ninbex)
IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 96946-42-8
Synonyms: Nimbex, Cisatracurium, Cisatracurium besylate, Nimbium, Cisatracurium besilate, Benzenesulfonate, Nimbex Forte, Nimbex (TN), Cisatracurium besilate (INN), Cisatracurium besylate (USAN), NIMBEX PRESERVATIVE FREE, Cisatracurium besylate [USAN:BAN], 51W89, Atracurium besylate 1R-cis,1R'-cis form, C53H72N2O12.2C6H5O3S, DB00565, (1R-cis,1'R-cis)-Atracurium besylate, NCGC00017127-01, CAS-64228-81-5, LS-178337

Molecular Formula: C65H82N2O18S2Molecular Weight: 1243.479180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 18

InChIKey: XXZSQOVSEBAPGS-DONVQRBFSA-L

• Diethyl 1h-pyrrole-2,3-dicarboxylate
IUPAC Name: 1,4-diethylpyrrole-2,3-dicarboxylate | CAS Registry Number: 25472-60-0
Synonyms: DIETHYL-1H-PYRROLE-2,3-DICARBOXYLATE, AG-E-78065, CTK4F5868

Molecular Formula: C10H11NO4-2Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UVXKSSJPIRXQHB-UHFFFAOYSA-L

• 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

• Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
Synonyms: 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine, AGN-PC-0079H2, CTK4F0792, AG-E-66895, KB-64594, FT-0675065, 1,5-Methano-1H-3-benzazepine-7,8-diamine,2,3,4,5-tetrahydro-3-(trifluoroacetyl)-, 1,5-Methano-1H-3-benzazepine-7,8-diamine,2,3,4,5-tetrahydro-3-(trifluoroacetyl)- (9CI);, 1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-ethanone, Ethanone,1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-

Molecular Formula: C13H14F3N3OMolecular Weight: 285.264970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LWZYCQINJXEWRC-UHFFFAOYSA-N

• Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-
Synonyms: 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, 1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone, AGN-PC-009JEI, CTK8C0813, ANW-65311, AKOS016005210, RL02726, AK102878, KB-16496, 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-

Molecular Formula: C13H12F3NOMolecular Weight: 255.235690 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LMOTUASGGOAXPT-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

• Hydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate | CAS Registry Number: 198904-85-7
Synonyms: TERT-BUTYL 2-(4-(PYRIDIN-2-YL)BENZYL)HYDRAZINECARBOXYLATE, AG-E-45427, Hydrazinecarboxylicacid,2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethylester, PubChem18780, SureCN6692, KSC174O8P, HYD012, CTK0H4787, MolPort-003-985-975, ACT06767, ANW-45480, SBB067446, ZINC21301403, AKOS015908769, AM84683, LS40050, AK-31998, EN001315, KB-60834, P512

Molecular Formula: C17H21N3O2Molecular Weight: 299.367540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GIMJTKJSKPENNG-UHFFFAOYSA-N

• L-Phenylalaninol
IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 3182-95-4
Synonyms: S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol, LS-121681

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: STVVMTBJNDTZBF-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
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 [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

• N-Boc-Nortropinone
IUPAC Name: tert-butyl (1R,5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate | CAS Registry Number: 185099-67-6
Synonyms: ZINC00057561, CID688612, ZINC00057560

Molecular Formula: C12H19NO3Molecular Weight: 225.284160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MENILFUADYEXNU-DTORHVGOSA-N

• N-t-Butylpiperazine
IUPAC Name: 1-tert-butylpiperazine | CAS Registry Number: 38216-72-7
Synonyms: 1-tert-butylpiperazine, N-tert-Butylpiperazine, 1-Tertbutyl piperazine, 1-tert-butyl-piperazine, N-tert-Butyl Piperazine, zlchem 734, 1-T-butyl piperazine, PubChem15872, N-tert-Butylpiperazine., AC1MS8ZL, AC1Q1MKH, SureCN104919, 1-T-BUTYLPIPERAZINE, SureCN3888868, KSC222G1J, Jsp006700, CTK1C2314, ZLD0189, MolPort-001-768-834, ACT02155

Molecular Formula: C8H18N2Molecular Weight: 142.241920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N

• R-tetrahydropapaverine HCl
IUPAC Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 54417-53-7
Synonyms: (R)-1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline HCl, (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride, CTK8F2020, r-tetrahydropapaverin hydrochloride, r-tetrahydropapaverine hydrochloride, (R)-Tetrahydropapaverine hydrochloride, AG-F-88763, RL04033, (R)-1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4 -tetrahydro-isoquinoline hydrochloride, (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride, (1R)- (9CI);Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-,hydrochloride, (R)-;(D)-(-)-Norlaudanosine hydrochloride;(R)-(-)-Norlaudanosine hydrochloride;D-(-)-Tetrahydropapaverine hydrochloride;

Molecular Formula: C20H26ClNO4Molecular Weight: 379.877740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: VMPLLPIDRGXFTQ-PKLMIRHRSA-N

• R-Tetrahydropapaverine N-Acetyl-L-Leucinate
IUPAC Name: (2S)-2-acetamido-4-methylpentanoic acid;(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | CAS Registry Number: 141109-12-8
Synonyms: R-Tetrahydropapaverine N-acetyl-L-leucinate, ACN-S002535, AKOS015900369, RL01727, R-tetrahydropapaverine-N-acetyl-L-leucinate, ST51053962, (R)-Tetrahydropapaverine N-acetyl-L-leucinate

Molecular Formula: C28H40N2O7Molecular Weight: 516.626400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: LMGYIXCUQYTPKM-NDOMUHJGSA-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; phosphoric acid | CAS Registry Number: 790712-60-6
Synonyms: Sitagliptan, Januvia, Sitagliptin phosphate, MK 0431, MK-0431, MK0431, LS-186669, (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 phosphate salt, 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 phosphate, 654671-78-0

Molecular Formula: C16H18F6N5O5PMolecular Weight: 505.308800 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 15

InChIKey: IQFYVLUXQXSJJN-SBSPUUFOSA-N

• Sitagliptin Base
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: Sitagliptin, 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

• Sodium Valproate
IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula: C8H15NaO2Molecular Weight: 166.193270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Sunitinib malate
IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid | CAS Registry Number: 341031-54-7
Synonyms: Sutent, Sutent (TN), Sunitinib malate [USAN], SU011248 L-malate salt, SU-11248 L-malate salt, PHA-290940AD, Sunitinib malate (JAN/USAN), SU-011248 L-malate salt, PNU-290940AD, SU010398, CID6456015, SU 011248, SU011248, LS-186078, SU-010398, TL8002546, D06402, Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)

Molecular Formula: C26H33FN4O7Molecular Weight: 532.561223 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-N

• Tetrahydropapaverine
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride | CAS Registry Number: 13074-31-2
Synonyms: Tetrahydropapaverine hydrochloride, EINECS 229-213-9, NSC 118072, CID22944, LS-85954, Papaverine, 1,2,3,4-tetrahydro-, hydrochloride, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-veratryl-isoquinoline hydrochloride, 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-VERATRYL-, HYDROCHLORIDE, 6429-04-5

Molecular Formula: C20H26ClNO4Molecular Weight: 379.877740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VMPLLPIDRGXFTQ-UHFFFAOYSA-N

• Thiazole-5-carboxyaldehyde
IUPAC Name: 1,3-thiazole-5-carbaldehyde | CAS Registry Number: 1003-32-3
Synonyms: Thiazole-5-carbaldehyde, 5-Thiazolecarboxaldehyde, 1,3-thiazole-5-carbaldehyde, 658103_ALDRICH, ZINC02577851, CID2773577, T2161M500

Molecular Formula: C4H3NOSMolecular Weight: 113.137720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZXRLWHGLEJGMNO-UHFFFAOYSA-N

• Varenicline
Synonyms: Vareniclene, CP 526555, LS-187375, 6,10-Methano-6H-pyrazino(2,3-h)(3)benzazepine, 7,8,9,10-tetrahydro-, 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine

Molecular Formula: C13H13N3Molecular Weight: 211.262420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JQSHBVHOMNKWFT-UHFFFAOYSA-N

• 1-Aminopyrrolidine hydrochloride
IUPAC Name: pyrrolidin-1-amine hydrochloride | CAS Registry Number: 63234-71-9
Synonyms: Pyrrolidylamine hydrochloride, N-Aminopyrrolidine hydrochloride, 1-Pyrrolidinamine hydrochloride, 586447_ALDRICH, EINECS 264-040-2, Pyrrolidin-1-amine monohydrochloride, SBB004281, LS-137172, TL8007048, UX9693000, PYRROLIDINE, 1-AMINO-, HYDROCHLORIDE

Molecular Formula: C4H11ClN2Molecular Weight: 122.596540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KTVYGDJRKCXTRA-UHFFFAOYSA-N

• 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Synonyms: Chantix, Varenicline tartrate, Chantix (TN), Varenicline tartrate (USAN), CID9906942, D06282

Molecular Formula: C17H19N3O6Molecular Weight: 361.349260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: TWYFGYXQSYOKLK-LREBCSMRSA-N

• 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine | CAS Registry Number: 231278-20-9
Synonyms: AG-E-67171, N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine, n-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine, N-[3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL]-6-IODOQUINAZOLIN-4-AMINE, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine, N-[3-Chloro-4-(3-Fluorobenzyloxy)-Phenyl]-6-Iodoquinazolin-4-Amine, PubChem19909, AGN-PC-0D1ZTX, SureCN141514, CTK1A1537, ANW-46636, ZINC22054565, AKOS015848952, QC-1121, AK-54559, AB1004632, AM20090640, FT-0658071, ST51051585

Molecular Formula: C21H14ClFIN3OMolecular Weight: 505.711233 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UHFPFDMMKYQMLC-UHFFFAOYSA-N

• 6,7-Bis(2-Methoxyethoxy)Quinazolin-4(1H)-One
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, CP-380736, 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

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

InChIKey: PMQWTUWLIGJTQD-UHFFFAOYSA-N

• 3,4-Dimethoxythiophene
IUPAC Name: 3,4-dimethoxythiophene | CAS Registry Number: 51792-34-8
Synonyms: 3,4-Dimethoxy thiophene, SBB042426, AG-F-75700, PubChem15752, 3,4-dimethoxy-thiophene, ACMC-209kw1, SureCN273191, AC1MU6I8, KSC491I4N, 668257_ALDRICH, CTK3J1446, MolPort-002-500-330, ACT08566, ANW-31343, ZINC02572923, AKOS000270772, AC-4907, HT21313, MCULE-9304280046, RP09893

Molecular Formula: C6H8O2SMolecular Weight: 144.191520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N

• 3-Piperidine carboxamide
IUPAC Name: piperidine-3-carboxamide | CAS Registry Number: 4138-26-5
Synonyms: Nipecotamide, Nipecotic acid amide, 3-Piperidinecarboxamide, Piperidine-3-carboxamide, N8105_ALDRICH, MLS000056354, MLS000069597, MLS000881152, NSC523303, CID92980, EINECS 223-962-5, SBB004239, NSC 523303, NCI60_004273, SMR000059034

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BVOCPVIXARZNQN-UHFFFAOYSA-N

• 4-Pyridazinecarboxylic acid
IUPAC Name: pyridazine-4-carboxylic acid | CAS Registry Number: 50681-25-9
Synonyms: Pyridazine-4-carboxylic Acid, 4-Carboxypyridazine, 4-pyridazinecarboxylicacid, 1,2-Diazine-4-carboxylic Acid, SBB053242, AG-F-70623, PubChem9501, ACMC-1ALR8, SureCN185925, 4-Pyridazinecarboxylicacid;, AC1MC41Z, KSC269I2F, PYRIDAZIN-4-YL FORMATE, 297763_ALDRICH, CHEMBL394068, CTK1G9422, CHEBI:512637, MolPort-000-159-570, ACT01793, ANW-31095

Molecular Formula: C5H4N2O2Molecular Weight: 124.097460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N

• (3r)-N-(tert-Butoxycarbonyl)-3-Amino-4-(2,4,5-Trifluorophenyl)butanoic Acid
IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid | CAS Registry Number: 486460-00-8
Synonyms: (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoic Acid, Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (R)-N-Boc-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoicacid, AC1OGBKG, PubChem18161, SureCN342707, BEN621, MolPort-003-794-892, ANW-45258, AC-1034, AG-B-16374, LS30286, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic Acid, AK-35304, KB-01605, AB1004600, FT-0649686, X1035, X1036

Molecular Formula: C15H18F3NO4Molecular Weight: 333.302930 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: TUAXCHGULMWHIO-SECBINFHSA-N

• 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
IUPAC Name: 8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one | CAS Registry Number: 28957-72-4
Synonyms: EINECS 249-329-3, MO 07738, TL8002286, 8-Benzyl-8-azabicyclo(3.2.1)octan-3-one, 8-benzyl-8-azabicyclo[3.2.1]octan-3-one

Molecular Formula: C14H17NOMolecular Weight: 215.290880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RSUHKGOVXMXCND-UHFFFAOYSA-N

• 3,4-Ethylenedioxythiophene
IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine | CAS Registry Number: 126213-50-1
Synonyms: EDOT, 3,4-ethylenedioxy thiophene, 2,3-dihydrothieno[3,4-b][1,4]dioxine, SBB042427, 2H,3H-thiopheno[3,4-e]1,4-dioxane, 2,3-Dihydrothieno(3,4-b)-1,4-dioxin, 2,3-Dihydrothieno[3,4-b]-1,4-dioxin, Thieno(3,4-b)-1,4-dioxin, 2,3-dihydro-, Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-, PubChem12563, 3,4-ethylendioxythiophen, SureCN33274, ACMC-1C6SU, AC1NA6A9, 3,4-ethyl enedioxythiophene, KSC491I3H, BIDD:GT0025, 483028_ALDRICH, Jsp001672, CTK3J1433

Molecular Formula: C6H6O2SMolecular Weight: 142.175640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKWLILHTTGWKLQ-UHFFFAOYSA-N

• (2S,3S,5S)-5-Amino-2-(N-((5-Thiazolyl)-Methoxycarbonyl)amino)-1,6-Diphenyl-3-Hydroxyhexane
IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 144164-11-4
Synonyms: Thiazol-5-ylmethyl ((2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate, 2S,3S,5S-5-Amino-2-[N-[[(5-thiozolyl)methoxy]carbonyl]amino]-1,6-diphenyl-3-hydroxyhexane, SureCN893198, CTK4C3961, (2S,3S,5S)-5-AMINO-2-(N-((5-THIAZOLYL)-METHOXYCARBONYL)AMINO)-1,6-DIPHENYL-3-HYDROXYHEXANE, Carbamic acid,N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,5-thiazolylmethyl ester, ANW-45254, AKOS015896455, AG-D-87165, RP17734, AK-88695, KB-260999, ST51053286, W3146, I06-1915, 1,3-Thiazol-5-ylmethyl N-[(1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate, Carbamic acid,[4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester,[1S-(1R*,2R*,4R*)]-;1,3-Thiazol-5-ylmethylN-[(1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate;Carbamicacid, [(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,5-thiazolylmethyl ester (9CI);

Molecular Formula: C23H27N3O3SMolecular Weight: 425.543780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: HBPTXDXGWDVDON-BVSLBCMMSA-N

• 5-Benzyl-3,4-dihydro-3,3-dimethyl-2H-pyrrole
IUPAC Name: 5-benzyl-3,3-dimethyl-2,4-dihydropyrrole | CAS Registry Number: 116673-95-1
Synonyms: 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole, 5-BENZYL-3,4-DIHYDRO-3,3-DIMETHYL-2H-PYRROLE, SureCN1842781, CTK8C0820, ANW-65320, AKOS015909997, AK102869, KB-196909, I14-32300

Molecular Formula: C13H17NMolecular Weight: 187.280780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IDLOIKCKXBJPPI-UHFFFAOYSA-N

• 1-Cyclohexenylacetic Acid
IUPAC Name: 2-cyclohexen-1-ylacetic acid | CAS Registry Number: 18294-87-6
Synonyms: 1-Cyclohexenylacetic acid, 1-Cyclohexene-1-acetic acid, Cyclohex-1-enylacetic acid, 1-Cyclohexen-1-ylacetic acid, NSC14103, EINECS 242-172-1, NSC 14103, SBB008386, FR-1335, AI3-28150

Molecular Formula: C8H12O2Molecular Weight: 140.179680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KDFBPHXESBPHTK-UHFFFAOYSA-N

• 2-Amino-5-Iodobenzoic Acid
IUPAC Name: 2-amino-5-iodobenzoic acid | CAS Registry Number: 5326-47-6
Synonyms: 5-Iodoanthranilic acid, 2-Amino-5-iodobenzoic acid, 5-Iodoanthranil acid, Anthranilic acid, 5-iodo-, Benzoic acid, 2-amino-5-iodo-, TimTec1_003193, A59603_ALDRICH, NSC 302, NSC302, EINECS 226-205-7, AIDS020045, AIDS-020045, Anthranilic acid, 5-iodo- (8CI), BRN 0639029, SBB001006, LS-35912, A-6020, 4-14-00-01084 (Beilstein Handbook Reference), InChI=1/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6INO2Molecular Weight: 263.032510 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GOLGILSVWFKZRQ-UHFFFAOYSA-N

• 3-Acetylthiophene
IUPAC Name: 1-thiophen-3-ylethanone | CAS Registry Number: 1468-83-3
Synonyms: 3-ACETYLTHIOPHENE, 1-thien-3-ylethanone, Ketone, methyl 3-thienyl, Ethanone, 1-(3-thienyl)-, Methyl 3-thienyl ketone, Methyl-3-thienyl ketone, 1-(3-Thienyl)ethanone, 196320_ALDRICH, BB_SC-4782, ALBB-005994, EINECS 215-996-4, ZINC00334460, TL8006177, AI-942/40192066

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RNIDWJDZNNVFDY-UHFFFAOYSA-N

• 3,6-Dichloropyridazine-4-Carboxylic Acid
IUPAC Name: 3,6-dichloropyridazine-4-carboxylic acid | CAS Registry Number: 51149-08-7
Synonyms: 3,6-Dichloropyridazine-4-carboxylic acid, 3,6-dichloro-4-pyridazinecarboxylic acid, 3,6-dichloropyridazinecarboxylic acid, AG-F-72716, AF-399/25108076, PubChem9529, Enamine_001708, ACMC-1AY8L, AC1L8W5Q, KSC269C3R, 297755_ALDRICH, AC1Q729V, CTK1G9138, 4-Carboxy-3,6-dichloropyridazine, MolPort-000-159-568, HMS1398N14, ANW-31201, SBB028516, AKOS001013304, AC-1507

Molecular Formula: C5H2Cl2N2O2Molecular Weight: 192.987580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N

• 6-Biopterin
IUPAC Name: 2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-1H-pteridin-4-one | CAS Registry Number: 22150-76-1
Synonyms: biopterin, Pterin H B2, L-Erythro-Biopterin, CID444475, NSC339699, 4(3H)-Pteridinone, 2-amino-6-(L-erythro-1,2-dihydroxypropyl)-, 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-, [S-(R*,S*)]-, BIO, H4B

Molecular Formula: C9H11N5O3Molecular Weight: 237.215340 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: LHQIJBMDNUYRAM-AWFVSMACSA-N

• 1-(4,5-Dinitro-10-aza-tricyclo[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone
Synonyms: 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, Ethanone,2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-, AGN-PC-005N47, CTK4F0791, AKOS016009780, AG-E-66894, AK114012, KB-76892, FT-0675012, 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7,8-dinitro-3-(trifluoroacetyl)- (9CI);, 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone, 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone

Molecular Formula: C13H10F3N3O5Molecular Weight: 345.230810 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N

• 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy] phenyl} amino)quinazolin-6-yl]-2-furaldehyde
IUPAC Name: 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde | CAS Registry Number: 231278-84-5
Synonyms: 5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde, 5-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-carbaldehyde, 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-2-furaldehyde, PubChem19908, AGN-PC-0D1ZTN, CTK1A1282, ANW-45786, ZINC22054569, AKOS015888618, AG-E-67174, AK-87981, AB1004633, KB-196476, AM20090639, FT-0659647, ST51051586, W4695, A816574, I01-1249, [5-[4-[4-[(3-Fluorobenzyl)oxy]-3-chloroanilino]-6-quinazolinyl]-2-furancarboxaldehyde

Molecular Formula: C26H17ClFN3O3Molecular Weight: 473.882883 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XQPZOUAAXRXPAM-UHFFFAOYSA-N

• 5-Formylfuran-2-boronic Acid
IUPAC Name: (5-formylfuran-2-yl)boronic acid | CAS Registry Number: 27329-70-0
Synonyms: 5-Formyl-2-furanboronic acid, 5-formyl-2-furylboronic acid, 2-Formylfuran-5-boronic acid, 512346_ALDRICH, SBB004171, CID2734355, F3420G1, TL8007120, AI-372/25005759

Molecular Formula: C5H5BO4Molecular Weight: 139.901800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JUWYQISLQJRRNT-UHFFFAOYSA-N

• (S)-1-Boc-piperidine-3-carboxylic acid
IUPAC Name: (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate | CAS Registry Number: 88495-54-9
Synonyms: ZINC00403289

Molecular Formula: C11H18NO4-Molecular Weight: 228.264920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NXILIHONWRXHFA-QMMMGPOBSA-M

• 2-aminoethylmethylsulfone Hydrochloride
IUPAC Name: 2-methylsulfonylethanamine;hydrochloride | CAS Registry Number: 104458-24-4
Synonyms: 2-Aminoethylmethylsulfone hydrochloride, 2-(methylsulfonyl)ethanamine hydrochloride, 2-Aminoethylmethylsulphone hydrochloride, SBB070078, 2-methanesulfonylethan-1-amine hydrochloride, 2-aminoethylmethylsulfone, AGN-PC-01LQRD, AC1Q3C5U, 2-(methylsulfonyl)ethaneamine, KSC494M5P, ACMC-2098c3, AES-M01-1, CTK3J4657, MolPort-001-760-137, ACN-S003783, 2-AMINOETHYLMETHYLSULFONE HCL, ANW-15073, AR2651, AKOS015849429, AG-A-36993

Molecular Formula: C3H10ClNO2SMolecular Weight: 159.635000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AMYYUKGKCJKCBI-UHFFFAOYSA-N

• 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-
IUPAC Name: 10-azabicyclo[6.3.1]dodeca-2,4,6-triene | CAS Registry Number: 69718-72-5
Synonyms: 10-azabicyclo[6.3.1]dodeca-2,4,6-triene, A836619, 10-AZA-TRICYCLO[6.3.1.0]DODECA-2,4,6-TRIENE

Molecular Formula: C11H15NMolecular Weight: 161.243500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NFHQQOQSRDAWBG-UHFFFAOYSA-N

• 5-Hydroxymethyl Thiazole
IUPAC Name: 1,3-thiazol-5-ylmethanol | CAS Registry Number: 38585-74-9
Synonyms: 5-Thiazolemethanol, 5-Hydroxymethylthiazole, Ambap2763, ZINC02527712, CID2763216, T2166M500, TL8002812

Molecular Formula: C4H5NOSMolecular Weight: 115.153600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WKBQQWDVVHGWDB-UHFFFAOYSA-N


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