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Yancheng Kangqiang Medical Raw Material Co.,Ltd

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Profile: Yancheng Kangqiang Medical Raw Material Co.,Ltd is specialized in manufacturing fine chemicals which are used as intermediate & rough source of APIs and AIs. Our products include lapatinib ditosylate, lapatinib, 2-(methylsulfonyl)ethanamine hydrochloride, 6-iodoquinazolin-4-ol, 4-chloro-6-iodoquinazoline, and 4-(3-fluorobenzyloxy)-3-chlorobenzenamine.

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• Aromatic Compounds
• Candesartan Cilexetil N1-Ethyl Amide
IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate | CAS Registry Number: 1185255-99-5
Synonyms: Candesartan Cilexetil Impurity C, UNII-3705I533V3, 2-Desethoxy-2-hydroxy-1H-1-Ethyl Candesartan Cilexetil, (RS)-1-[[Cyclohexyloxy)carbonyl]oxy]ethyl-3-[[2 inverted exclamation mark -(1-ethyl-1H-tetrazol-5-yl)-4-biphenylyl]methyl]-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate, 2-Hydroxy-1-[[2'-(1-ethyl-1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid 1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl Ester

Molecular Formula: C33H34N6O6Molecular Weight: 610.659660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: DEGBAMTUFHKMQR-UHFFFAOYSA-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

• Ethanethioamide, 2-(dimethylamino)-, Hydrochloride
IUPAC Name: 2-(dimethylamino)ethanethioamide;hydrochloride | CAS Registry Number: 27366-72-9
Synonyms: Dimethylaminothioacetamide hydrochloride, 2-(dimethylamino)ethanethioamide hydrochloride, 114166-44-8, Jsp005323, AGN-PC-00L009, CTK8B7119, MolPort-008-266-577, ACT03293, ANW-56432, SBB066390, AKOS015897386, AK-74196, U814, 2-(Dimethylamino)thioacetamide hydrochloride, FT-0081154, A803146, Ethanethioamide, 2-(dimethylamino)-, hydrochloride, I09-0318, I14-0507

Molecular Formula: C4H11ClN2SMolecular Weight: 154.661540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OQANDCSWKZVVQI-UHFFFAOYSA-N

• Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate | CAS Registry Number: 571-55-1
Synonyms: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate, Ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate, ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, AG-G-01418, AC1O1YXB, 441236_ALDRICH, MolPort-000-144-360, SBB099234, ZINC02582810, AKOS009124416, GK00720, AK-49930, BR-49930, EN002514, FT-0626025, W7066, C-5009, A831330, 3S104994

Molecular Formula: C9H11F3O4Molecular Weight: 240.176450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XNGGOXOLHQANRB-AATRIKPKSA-N

• ethyl 2-Cyano-4,4-diethoxybutyrate
IUPAC Name: ethyl 2-cyano-4,4-diethoxybutanoate | CAS Registry Number: 52133-67-2
Synonyms: Ethyl 2-cyano-4,4-diethoxybutyrate, Ethyl 2,2-diethoxyethylcyanoacetate, ethyl 2-cyano-4,4-diethoxybutanoate, AG-F-77403, 2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester, zlchem 173, Ethyl 2-cyano-4,4-diethoxy-butanoate, PubChem13692, AC1N48NE, KSC269G6T, CTK1G9369, ZLB0164, MolPort-003-847-208, Ethyl-2,2-diethoxythylcyanoacetate, ACT02948, AB2838, ANW-47538, SBB066982, AKOS000281353, LS40726

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AHKACZDKUNMFBD-UHFFFAOYSA-N

• Ethyl 2-formyl-3-oxopropanoate
IUPAC Name: ethyl 2-formyl-3-oxopropanoate | CAS Registry Number: 80370-42-9
Synonyms: 2-FORMYL-3-OXO-PROPANOIC ACID ETHYL ESTER, ethyl 2-formyl-3-oxopropanoate, Propanoic acid, 2-formyl-3-oxo-, ethyl ester, ACMC-20knr3, Ethyl-2-formyl-3-oxopropionate, CTK5E7723, MolPort-009-197-847, AKOS005137890, AG-H-23085, PB13383, RL05093, AK-40239, Propanoicacid,2-formyl-3-oxo-,ethylester, 2-formyl-3-oxo-propionic acid ethyl ester, FT-0648814, Propanoic acid,2-formyl-3-oxo-, ethyl ester, 2-FORMYL-3-OXOPROPIONIC ACID ETHYL ESTER, I14-16461

Molecular Formula: C6H8O4Molecular Weight: 144.125320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N

• Ethyl 4-pyrazolecarboxylate
IUPAC Name: ethyl 1H-pyrazole-4-carboxylate | CAS Registry Number: 37622-90-5
Synonyms: 4-Acetylpyrazole, Ethyl 1H-pyrazole-4-carboxylate, 300780_ALDRICH, CID142179, ZINC00409316, TL8002769

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N

• Ethyl 6-methylsalicylate
IUPAC Name: ethyl 2-hydroxy-6-methylbenzoate | CAS Registry Number: 6555-40-4
Synonyms: Ambap6914, Ethyl 2-hydroxy-6-methylbenzoate, ZINC03847167, 6-Methylsalicylic acid ethyl ester, CID584222, FS000887, Benzoic acid, 2-hydroxy-6-methyl-, ethyl ester

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KWXBNUYCDMPLEQ-UHFFFAOYSA-N

• Ethyl nitroacetate
IUPAC Name: ethyl 2-nitroacetate | CAS Registry Number: 626-35-7
Synonyms: Nitroacetic acid ethyl ester, Acetic acid, nitro-, ethyl ester, 192333_ALDRICH, 73315_FLUKA, EINECS 210-944-7, NSC 42302, NSC42302, BRN 1210027, ZINC01675129, E101, LS-12596, TL8004218, 4-02-00-00537 (Beilstein Handbook Reference)

Molecular Formula: C4H7NO4Molecular Weight: 133.102680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FTKASJMIPSSXBP-UHFFFAOYSA-N

• Heterocyclic Compounds
IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

Molecular Formula: C15H10O7Molecular Weight: 302.235700 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

• HODHBt
IUPAC Name: 3-hydroxy-1,2,3-benzotriazin-4-one | CAS Registry Number: 28230-32-2
Synonyms: DHBT, 37305_FLUKA, 40825_FLUKA, EINECS 248-916-1, NSC279266, ZINC00156099, 3-hydroxy-1,2,3-benzotriazin-4-one, NSC 279266, 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one, ST5438348, ST5448382, 1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-, 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine, 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one solution, 3-Hydroxy-3,4-dihydro-4-oxo-1,2,3-benzotriazine

Molecular Formula: C7H5N3O2Molecular Weight: 163.133500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBLUNHMOKFZQX-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

• Methacrolein
IUPAC Name: 2-methylprop-2-enal | CAS Registry Number: 78-85-3
Synonyms: Methacrylaldehyde, Isobutenal, METHACROLEIN, 2-Methylacrolein, 2-Methylpropenal, Methylacrylaldehyde, 2-Methylenepropanal, Methacrylic aldehyde, 2-Propenal, 2-methyl-, alpha-Methylacrolein, Acrolein, 2-methyl-, 2-Methyl-2-propenal, .alpha.-Methacrolein, 2-Methylacrylaldehyde, Methakrylaldehyd [Czech], .alpha.-Methylacrolein, 2-Methylpropenal [Czech], CCRIS 1153, HSDB 182, WLN: VHY1&U1

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N

• Methyl 2-amino-3-nitrobenzoate
IUPAC Name: methyl 2-amino-3-nitrobenzoate | CAS Registry Number: 57113-91-4
Synonyms: CID607264, ZINC04240518, 2-Amino-3-nitro-benzoic acid methyl ester, 2-Amino-3-nitrobenzoic acid, methyl ester

Molecular Formula: C8H8N2O4Molecular Weight: 196.160120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HDCLJQZLTMJECA-UHFFFAOYSA-N

• Methyl 2-Ethoxybenzimidazole-7-Carboxylate
IUPAC Name: methyl 2-ethoxy-1H-benzimidazole-4-carboxylate | CAS Registry Number: 150058-27-8
Synonyms: Methyl 2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, METHYL 2-ETHOXYBENZIMIDAZOLE-7-CARBOXYLATE, Methyl 2-ethoxy-3H-benzo[d]imidazole-4-carboxylate, 2-Ethoxy-3H-Benzimidazole-4-carboxylic acid methyl ester, SureCN5271758, SureCN5271761, CTK8C1983, ANW-67572, SBB065103, ZINC44136285, AKOS015890395, RP05153, AK-88026, KB-202760, FT-0658090, Y7591, I01-6970, 2-Ethoxy-1H-benzimidazole-4-carboxylic Acid Methyl Ester

Molecular Formula: C11H12N2O3Molecular Weight: 220.224580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MOPLKVMMSFGZIR-UHFFFAOYSA-N

• N,N-DIMETHYL-3-CHLOROPROPYL
IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride | CAS Registry Number: 1281-00-1
Synonyms: 5407-04-5, 3-Dimethylaminopropylchloride hydrochloride, 3-(Dimethylamino)propyl chloride hydrochloride, 3-Chloro-N,N-dimethylpropylamine hydrochloride, CCRIS 7054, 3-chloro-N,N-dimethylpropan-1-amine hydrochloride, Dimethylaminopropyl chloride, hydrochloride, N,N-Dimethyl-3-chloropropylamine hydrochloride, 3-Chloropropyldimethylammonium chloride, 3-(Dimethylamino)chloropropane hydrochloride, 1-Chloro-3-(dimethylamino)propane hydrochloride, 3-(Dimethylamino)-1-propyl chloride hydrochloride, 3-Chloro-N',N'-dimethylaminopropane hydrochloride, NSC 5368, EINECS 226-467-2, Dimethylaminopropyl chloride hydrochloride, AI3-26681, 3-Dimethylaminopropyl chloride hydrochloride, beta-Dimethylaminopropylchloride hydrochloride, 3-Chloro-N,N-dimethyl-1-propylamine hydrochloride

Molecular Formula: C5H13Cl2NMolecular Weight: 158.069420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N

• Nizatidine
IUPAC Name: (E)-1-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 76963-41-2
Synonyms: nizatidine, Acinon, Axid, Zanizal, Nizax, Calmaxid, Cronizat, Distaxid, Galitidin, Naxidine, Antizid, Gastrax, Nizaxid, Panaxid, Ulcosol, Tazac, Ulxid, Zinga, Splendil ER, Axid Ar

Molecular Formula: C12H21N5O2S2Molecular Weight: 331.457440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N

• O-((6-(1H-Pyrazol-1-yl)pyridin-3-yl)methyl)hydroxylamine
IUPAC Name: O-[(6-pyrazol-1-ylpyridin-3-yl)methyl]hydroxylamine | CAS Registry Number: 628703-61-7
Synonyms: SureCN1598470, CTK8C1074, ANW-65840, AKOS016005542, AK-87488, KB-259070

Molecular Formula: C9H10N4OMolecular Weight: 190.201900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GHOSFAKZZYSFCX-UHFFFAOYSA-N

• (2-trifluoromethyl-pyridin-3-yl)-methanol
IUPAC Name: [2-(trifluoromethyl)pyridin-3-yl]methanol | CAS Registry Number: 131747-57-4
Synonyms: (2-(trifluoromethyl)pyridin-3-yl)methanol, 2-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANOL, 3-Pyridinemethanol,2-(trifluoromethyl)-, [2-(trifluoromethyl)pyridin-3-yl]methanol, PubChem16987, SureCN844943, AGN-PC-002GHA, ACMC-1C98I, CTK4B7480, MolPort-020-006-665, ANW-72032, AKOS006308961, AG-D-64447, RP03029, AK-57687, KB-205543, (2-Trifluoromethyl-pyridin-3-yl)-methanol;, AM20050766, FT-0688628, Y7404

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BQDXBKVSCIWSIJ-UHFFFAOYSA-N

• (6-trifluoromethyl-pyridin-3-yl)-methanol
IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl]methanol | CAS Registry Number: 386704-04-7
Synonyms: 6-(Trifluoromethyl)pyridine-3-methanol, [6-(Trifluoromethyl)-3-pyridyl]methanol, 3-hydroxymethyl-6-trifluoromethylpyridine, (6-(trifluoromethyl)pyridin-3-yl)methanol, [6-(trifluoromethyl)pyridin-3-yl]methanol, 6-trifluoromethyl-3-pyridinemethanol, SBB054790, 2-(trifluoromethyl)pyridine-5-methanol, (6-(trifluoromethyl)pyridin-3-y1)methanol, ZINC00154408, PubChem16964, ACMC-1AETO, AC1MU7CQ, SureCN132198, 640050_ALDRICH, Jsp006755, CTK4D4719, MolPort-000-159-138, 6-trifluoromethyl-3-pyridylmethanol, ACN-S003403

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CBSXUFWMVOAHTK-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-4-oxo-carbazole
IUPAC Name: 1,2,3,9-tetrahydrocarbazol-4-one | CAS Registry Number: 15128-52-6
Synonyms: 1,2,3,4-tetrahydro-4-oxocarbazole, 1,2,3,4-Tetrahydrocarbazol-4-one, 1,2,3,9-tetrahydrocarbazol-4-one, 1,2,3,9-TETRAHYDRO-4H-CARBAZOLE-4-ONE, 1,2,3,9-tetrahydro-4H-carbazol-4-one, 1,2,3,9-Tetrahydro-4(H)-carbazol-4-one, 1,2,3,9-Tetrahydro-4H-2-carbozol-4-one, 4-OXO-1,2,3,4 TETRAHYDRO CARBAZOLE, ZINC00519622, PubChem9542, PubChem23342, ACMC-1CCRR, AC1LID4J, SureCN2220752, Jsp002903, AGN-PC-005K74, MolPort-000-703-061, BB_SC-3174, 1,2,3,4-Tetrahydro-4-oxocarbazol, ANW-21335

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DSXKDTZEIWTHRO-UHFFFAOYSA-N

• 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester
IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate | CAS Registry Number: 139481-44-0
Synonyms: AG-D-79570, Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate, 3-(2'-Cyano-biphenyl-4-ylmethyl)-2-ethoxy-3H-benzoimidazole-4-carboxylic acid methyl ester, METHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE, 1H-Benzimidazole-7-carboxylic acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester, ACMC-209vl7, SureCN3976108, BEN721, CTK4C1826, MolPort-005-938-597, ANW-45209, CX1031, QC-596, ZINC21992940, AKOS015896142, AC-7777, LS40975

Molecular Formula: C25H21N3O3Molecular Weight: 411.452540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSXLHOFDCDKQLH-UHFFFAOYSA-N

• 1-(3-hydroxypropyl)-pyrrolidine
IUPAC Name: 3-pyrrolidin-1-ylpropan-1-ol | CAS Registry Number: 19748-66-4
Synonyms: 1-Pyrrolidinepropanol, gamma-Pyrrolidinopropanol [German], BRN 0103382, LS-138131, 4-20-00-00118 (Beilstein Handbook Reference)

Molecular Formula: C7H15NOMolecular Weight: 129.200100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZMJQROKRSPSLFH-UHFFFAOYSA-N

• 1-Benzyl-3-hydroxy-1H indazole
IUPAC Name: 1-(phenylmethyl)-2H-indazol-3-one | CAS Registry Number: 2215-63-6
Synonyms: CBMicro_007258, ChemDiv2_000492, 1-Benzyl-1H-indazol-3-ol, Oprea1_122894, Oprea1_591436, MLS001211149, 1H-Indazol-3-ol, 1-benzyl-, STOCK1S-86033, 1-Benzyl-1,2-dihydro-indazol-3-one, EINECS 218-680-4, EINECS 236-138-5, NSC247064, ZINC00238036, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, BAS 01403806, SMR000516810, BIM-0007142.P001, ST5406772, 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Molecular Formula: C14H12N2OMolecular Weight: 224.257880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N

• 1-Hydroxybenzotriazole Hydrate
IUPAC Name: 1-hydroxybenzotriazole;hydrate | CAS Registry Number: 123333-53-9
Synonyms: 1-Hydroxybenzotriazole hydrate, 1-hydroxybenzotriazole monohydrate, 80029-43-2, HOBt Hydrate, 1h-1,2,3-benzotriazol-1-ol hydrate, 1-hydroxy benzotriazole monohydrate, SBB000114, AG-D-50208, hobt monohydrate, hobt (monohydrate), benzotriazolol, hydrate, AC1MDUQK, ACMC-209aon, SureCN5523, benzotriazolol, oxamethane, n-hydroxybenzotriazole h2o, KSC490O8P, 54802_ALDRICH, 1-oxidanylbenzotriazole hydrate, 157260_ALDRICH

Molecular Formula: C6H7N3O2Molecular Weight: 153.138680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PJUPKRYGDFTMTM-UHFFFAOYSA-N

• 1-Methyl-3-(trifluoromethyl)-1H-Pyrazol-5-Ol
IUPAC Name: 2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one | CAS Registry Number: 122431-37-2
Synonyms: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, 2-Methyl-3-hydroxy-5-trifluoromethylpyrazole, 2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 1H-Pyrazol-5-ol,1-methyl-3-(trifluoromethyl)-, 1-Methyl-3-trifluoromethyl-1H-pyrazol-5-ol, AC1LOELW, PubChem11386, Bionet2_000182, SureCN537472, SureCN758498, AC1Q40BZ, methyltrifluoromethylpyrazolol, ACMC-1C28B, MLS000756059, PYR161, CTK4B3106, MolPort-001-772-490, HMS1364I06, HMS2605B15, CCG-43989

Molecular Formula: C5H5F3N2OMolecular Weight: 166.101210 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WQRHIGNAKDJJKN-UHFFFAOYSA-N

• 1-Methyl-3-(Trifluoromethyl)-1h-Pyrazole
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole | CAS Registry Number: 154471-65-5
Synonyms: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole, 1-methyl-3-(trifluoromethyl)pyrazole, SBB055829, AG-E-02401, 1-Methyl-3-trifluoromethyl-1H-pyrazole, ZINC00160136, PubChem20857, ACMC-209dap, AC1MCXQ2, SureCN174430, CTK0H3873, MolPort-000-144-432, ANW-21503, AKOS005169532, AC-4835, LS20819, MCULE-4602085854, QC-4678, RP01638, AK-33446

Molecular Formula: C5H5F3N2Molecular Weight: 150.101810 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MQSLINQSJFALSP-UHFFFAOYSA-N

• 1-Methyl-3-(trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate | CAS Registry Number: 113100-53-1
Synonyms: ZINC02388286, CID7010167

Molecular Formula: C6H4F3N2O2-Molecular Weight: 193.103370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: FZNKJQNEJGXCJH-UHFFFAOYSA-M

• 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
IUPAC Name: 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid | CAS Registry Number: 128694-63-3
Synonyms: TimTec1_003188, MLS000850704, ZERO/005391, MolPort-000-157-626, HMS1543A20, ALBB-008645, CID606540, STK315878, SMR000456721, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, EU-0083300, M80046, I14-7620, 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid, Pyrazole-5-carboxylic acid, 3-trifluorromethyl-1-methyl-

Molecular Formula: C6H5F3N2O2Molecular Weight: 194.111310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: AQUQLOWJSBFHBD-UHFFFAOYSA-N

• 1-methyl-5-(trifluoromethyl)-1H-Pyrazole-4-carboxaldehyde
IUPAC Name: 1-methyl-5-(trifluoromethyl)pyrazole-4-carbaldehyde | CAS Registry Number: 497833-04-2
Synonyms: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 4-FORMYL-5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE, 1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE, PubChem16975, CTK4J1682, MolPort-020-006-196, ANW-64474, AKOS015898320, AG-F-66752, AK103793, KB-219440, C-2325, I11-0541, 5-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde,1-methyl-5-(trifluoromethyl)-

Molecular Formula: C6H5F3N2OMolecular Weight: 178.111910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UPFJYPJGFYQTRE-UHFFFAOYSA-N

• 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC Name: 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid | CAS Registry Number: 119083-00-0
Synonyms: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylicacid, 1-methyl-5-(trifluoromethyl)-, Maybridge4_000816, PubChem16974, ACMC-20dtv3, AC1MD9DX, SureCN1196081, AC1Q40E0, CTK0H3160, MolPort-003-698-638, HMS1523F02, SBB091682, AKOS009227602, AG-D-41716, RP25294, IDI1_031398, AK-55692, KB-160075, FT-0608071

Molecular Formula: C6H5F3N2O2Molecular Weight: 194.111310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: VAKOSNKAXYJZRG-UHFFFAOYSA-N

• 2-(6-chloro-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide | CAS Registry Number: 302964-08-5
Synonyms: N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide, AG-E-99471, 2-(6-chloro-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, 2-((6-Chloro-2-methylpyrimidin-4-yl)amino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, 2-[(6-Chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide, AC1Q2P0B, AGN-PC-005O7A, CTK3J7347, ZINC22054724, AKOS015888619, RL03065, AK111100, KB-79017, AB1004629, AM20090636, FT-0655050, ST51051587, X3257, M-1073, I01-1250

Molecular Formula: C16H13Cl2N5OSMolecular Weight: 394.278320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LMXUWARKUIELGT-UHFFFAOYSA-N

• 2-(DIMETHOXYMETHYL)QUINOXALINE 1,4-DIOXIDE
IUPAC Name: 3-(dimethoxymethyl)-4-oxidoquinoxalin-1-ium 1-oxide | CAS Registry Number: 32065-66-0
Synonyms: 2-(Dimethoxymethyl)quinoxaline 1,4-dioxide, AC1MHX97, CTK4G8161, EINECS 250-910-9, AG-F-07042, CH-650-2, 2-Dimethoxymethyl-quinoxaline 1,4-dioxide, KB-224032, Quinoxaline,2-(dimethoxymethyl)-, 1,4-dioxide, 3-(dimethoxymethyl)-4-oxidoquinoxalin-1-ium 1-oxide, 2-Quinoxalinecarboxaldehyde,dimethyl acetal, 1,4-dioxide (8CI);2-Formylquinoxaline 1,4-dioxide dimethylacetal;2-Quinoxalinecarboxaldehyde 1,4-dioxide dimethyl acetal;Quinoxaline-2-carboxaldehyde dimethyl acetal di-N-oxide;3-(dimethoxymethyl)-1-oxoquinoxalin-1-ium-4(1H)-olate;2-Dimethoxymethyl-quinoxaline 1,4-dioxide;quinoxaline, 2-(dimethoxymethyl)-, 1,4-dioxide;

Molecular Formula: C11H12N2O4Molecular Weight: 236.223980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BWTLITYWRKJWIM-UHFFFAOYSA-N

• 2-(Dimethylaminomethyl)-4-(2-Aminoethylthiomethyl)thiazole
IUPAC Name: 2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine | CAS Registry Number: 78441-62-0
Synonyms: EINECS 278-909-9, CID10977318, 4-(((2-Aminoethyl)thio)methyl)-N,N-dimethylthiazole-2-methylamine, 2-Thiazolemethanamine, 4-(((2-aminoethyl)thio)methyl)-N,N-dimethyl-

Molecular Formula: C9H17N3S2Molecular Weight: 231.381380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FDMDNIIUCZHKFE-UHFFFAOYSA-N

• 2-(DIMETHYLAMINOMETHYL)-4-THIAZOLEMETHANOL
IUPAC Name: [2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methanol | CAS Registry Number: 78441-69-7
Synonyms: ZERO/005461, MolPort-002-507-839, ALBB-004964, STK501501, CID1838020, AC-20415, 4-Thiazolemethanol, 2-[(dimethylamino)methyl]-, {2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol, 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine, InChI=1/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H

Molecular Formula: C7H12N2OSMolecular Weight: 172.247980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BIEFSXASVIQOOS-UHFFFAOYSA-N

• 2-(Trifluoromethyl)nicotinic acid
IUPAC Name: 2-(trifluoromethyl)pyridine-3-carboxylic acid | CAS Registry Number: 131747-43-8
Synonyms: 2-(Trifluoromethyl)pyridine-3-carboxylic acid, 2-Trifluoromethyl-nicotinic acid, 2-Trifluoromethylnicotinic acid, SBB053042, 2-( trifluoromethyl ) nicotinic acid, 2-(trifluoromethyl)-3-pyridinecarboxylic acid, AC1MCRSN, PubChem12728, ACMC-1C9GB, SureCN413572, AC1Q72DA, 681261_ALDRICH, Jsp001919, CTK0H4331, MolPort-001-777-846, ACN-S002133, ACT10356, ANW-48365, WT1966, AKOS005063819

Molecular Formula: C7H4F3NO2Molecular Weight: 191.107370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: BFROETNLEIAWNO-UHFFFAOYSA-N

• 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

• 2-Aminothiazole-5-carboxylic acid
IUPAC Name: 2-amino-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 40283-46-3
Synonyms: NSC239729, CID315243

Molecular Formula: C4H4N2O2SMolecular Weight: 144.151760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZFMRDDYYJJCBKC-UHFFFAOYSA-N

• 2-Brom-4-chlorobenzoic acid
IUPAC Name: 2-bromo-5-chlorobenzoic acid | CAS Registry Number: 936-08-3
Synonyms: 2-Bromo-5-chlorobenzoic acid, 6-Bromo-3-chlorobenzoic acid, 664022_ALDRICH, NSC128879, Benzoic acid, 2-bromo-5-chloro-, CID89027, EINECS 244-559-0, ST5408540, 21739-93-5

Molecular Formula: C7H4BrClO2Molecular Weight: 235.462460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RBCPJQQJBAQSOU-UHFFFAOYSA-N

• 2-Cyano-5-hydroxypyridine
IUPAC Name: 5-hydroxypyridine-2-carbonitrile | CAS Registry Number: 86869-14-9
Synonyms: 2-cyano-5-hydroxypyridine, 5-Hydroxypyridine-2-carbonitrile, 6-Cyanopyridin-3-ol, 5-Hydroxypicolinonitrile, AG-H-50213, PubChem17605, 6-Cyano-3-pyridinol;, SureCN312264, 5-hydroxy-2-pyridinecarbonitrile, CTK5F7306, 5-oxidanylpyridine-2-carbonitrile, MolPort-005-935-094, 2-Pyridinecarbonitrile,5-hydroxy-, BH351, ANW-44816, SBB065240, ZINC14984854, AKOS005257956, AC-1887, PB12442

Molecular Formula: C6H4N2OMolecular Weight: 120.108760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N

• 2-Methylene-1,3-propanediol
IUPAC Name: 2-methylidenepropane-1,3-diol | CAS Registry Number: 3513-81-3
Synonyms: 2-Methylenepropane-1,3-diol, 339512_ALDRICH, 1,3-Propanediol, 2-methylene-, ZINC02545333, CID77048, EINECS 222-516-7

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JFFYKITVXPZLQS-UHFFFAOYSA-N

• 2-Pyridinecarbonitrile, 5-nitro-
IUPAC Name: 5-nitropyridine-2-carbonitrile | CAS Registry Number: 100367-55-3
Synonyms: 5-Nitropicolinonitrile, 2-Cyano-5-nitropyridine, 5-nitropyridine-2-carbonitrile, 6-Cyano-3-nitropyridine, 5-nitro-2-pyridinecarbonitrile, 2-Pyridinecarbonitrile,5-nitro-, AG-D-05271, PubChem6230, ACMC-209zwa, SureCN4016419, CTK3J8850, MolPort-003-824-258, ACT07045, ANW-50792, SBB065244, ZINC14982543, AKOS006285810, AC-6784, PB15869, RP21253

Molecular Formula: C6H3N3O2Molecular Weight: 149.106920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YZDHDHMJKCKESU-UHFFFAOYSA-N

• 2-Trifluoromethyl-3-aminopyridine
IUPAC Name: 2-(trifluoromethyl)pyridin-3-amine | CAS Registry Number: 106877-32-1
Synonyms: 2-(trifluoromethyl)pyridin-3-amine, 2-TRIFLUOROMETHYL-3-AMINOPYRIDINE, 3-Amino-2-(trifluoromethyl)pyridine, 3-Pyridinamine,2-(trifluoromethyl)-, PubChem16968, ACMC-209xm2, SureCN1025834, CTK4A4833, 2-(Trifluoromethyl)-3-aminopyridine, ANW-47832, 3-Amino-2-(trifluoromethyl)pyridine;, AKOS005255030, AB51471, AG-D-21607, QC-5433, AK-80118, BR-80118, KB-71074, 2-(TRIFLUOROMETHYL)-3-PYRIDINAMINE, 2-TRIFLUOROMETHYL-PYRIDIN-3-YLAMINE

Molecular Formula: C6H5F3N2Molecular Weight: 162.112510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XZKZVCLLDKWOKM-UHFFFAOYSA-N

• 2-Trifluoromethyl-Nicotinic Acid Ethyl Ester
IUPAC Name: ethyl 2-(trifluoromethyl)pyridine-3-carboxylate | CAS Registry Number: 208517-35-5
Synonyms: Ethyl 2-(Trifluoromethyl)nicotinate, 2-Trifluoromethyl-nicotinic acid ethyl ester, Ethyl 2-(trifluoromethyl)pyridine-3-carboxylate, Ethyl 2-trifluoromethylnicotinate, SBB053868, AG-E-53122, 2-Trifluoromethyl-nicotinicacidethylester, 2-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, 2-(Trifluoromethyl)nicotinic acid ethyl ester, PubChem12730, SureCN3662007, CTK4E5302, MolPort-001-778-121, ACN-S002136, ACT10358, ANW-56567, ZINC16159960, AKOS015891523, AB48764, RP27176

Molecular Formula: C9H8F3NO2Molecular Weight: 219.160530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UNDXNPHDXSFEAE-UHFFFAOYSA-N

• 3,3-Diethoxypropionic acid ethylester (DEPE)
IUPAC Name: ethyl 3,3-diethoxypropanoate | CAS Registry Number: 10601-80-6
Synonyms: Ethyl 3,3-diethoxypropionate, NCIOpen2_001167, Ethyl 3,3-diethoxypropanoate, 414476_ALDRICH, NSC83149, EINECS 234-223-1, ZINC01730613, Propanoic acid, 3,3-diethoxy-, ethyl ester, AI3-22276, Malonaldehydic acid ethyl ester diethylacetal

Molecular Formula: C9H18O4Molecular Weight: 190.236820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SIALOQYKFQEKOG-UHFFFAOYSA-N

• 3-(DIFLUOROMETHYL)-4-FORMYL-1-METHYL-1H-PYRAZOLE
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde | CAS Registry Number: 128225-66-1
Synonyms: 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 1094484-55-5, 4-FORMYL-3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE, PubChem16984, PubChem16985, CTK4A6512, MolPort-020-006-197, ANW-47689, AKOS006311960, AG-D-26352, AK-55687, BR-55687, KB-219242, X9723, C-2106, I11-0567, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde,3-(difluoromethyl)-1-methyl-

Molecular Formula: C6H5F3N2OMolecular Weight: 178.111910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QNEXGLZIJJETOO-UHFFFAOYSA-N

• 3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-AMINE, 97%
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazol-4-amine | CAS Registry Number: 1006436-44-7
Synonyms: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine, 1-Methyl-3-trifluoromethyl-1H-pyrazol-4-ylamine, SBB022314, 1-methyl-3-(trifluoromethyl)pyrazole-4-ylamine, 3-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-amine, PubChem16981, KSC782A1L, CTK6I2015, MolPort-000-891-158, ANW-46806, STK349693, ZINC02537831, AKOS000310668, AG-B-82831, MCULE-9721649278, XF10081, AK-49195, ST095406, KB-219241, X8515

Molecular Formula: C5H6F3N3Molecular Weight: 165.116450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OHASPUNAEXVWEP-UHFFFAOYSA-N


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