Topharman Shanghai Co Ltd

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Profile: Topharman Shanghai Co Ltd manufactures active pharmaceutical intermediates. Our product includes bumetanide, adapalene, ambazone, aminocarb, antazolin, bicifadine and delavirdine. We also provide doxazosin, exalamide, fenoxazoline, fluoxetine, tegaserod, zaleplon and zoledronic acid.

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• 2-Pyridinecarbonitrile, 5-hydroxy-3-methyl-

IUPAC Name: 5-hydroxy-3-methylpyridine-2-carbonitrile | CAS Registry Number: 228867-86-5
Synonyms: 5-Hydroxy-3-methylpyridine-2-carbonitrile, 5-hydroxy-3-methylpicolinonitrile, AG-E-66043, 2-Carbonitrile-5-Hydroxy-3-methylpyridine, PubChem17625, SureCN362107, KSC496G9D, PYR051, CTK3J6391, MolPort-004-756-701, ACT08676, ANW-52557, SBB065242, AKOS006311108, AK-34229, KB-43400, 5-hydroxy-3-methylpyridine-2-carbonitrile;, FT-0603735, A26248, I02-0263

Molecular Formula:	C₇H₆N₂O	Molecular Weight:	134.135340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VFQZBTDFJLSQCM-UHFFFAOYSA-N

• 4-Biphenylacetic Acid (CAS: 572-52-9)

• 2-Propenoic Acid, 3-[[4-(acetylamino)-3-Ethoxyphenyl]amino]-2-Cyano-, Ethyl Ester

IUPAC Name: ethyl 3-(4-acetamido-3-ethoxyanilino)-2-cyanoprop-2-enoate | CAS Registry Number: 848133-74-4
Synonyms: AGN-PC-005DTX, A840938, ethyl (E)-3-(4-acetamido-3-ethoxyanilino)-2-cyanoprop-2-enoate, ethyl 3-[(4-acetamido-3-ethoxy-phenyl)amino]-2-cyano-prop-2-enoate, 3-(4-acetamido-3-ethoxyanilino)-2-cyano-2-propenoic acid ethyl ester, 3-[[4-(ACETYLAMINO)-3-ETHOXYPHENYL]AMINO]-2-CYANO-2-PROPENOIC ACID ETHYL ESTER

Molecular Formula:	C₁₆H₁₉N₃O₄	Molecular Weight:	317.339760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: STFJATKWKPLWME-UHFFFAOYSA-N

• 2-Aminothiazol-4-acetic acid

IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)acetic acid | CAS Registry Number: 29676-71-9
Synonyms: 2-AMINO-4-THIAZOLEACETIC ACID, 249696_ALDRICH, EINECS 249-769-6, (2-Aminothiazole-4-yl)acetic acid, SBB003994, LS-1140, NCGC00091091-01, (2-Amino-1,3-thiazol-4-yl)acetic acid

Molecular Formula:	C₅H₆N₂O₂S	Molecular Weight:	158.178340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DYCLHZPOADTVKK-UHFFFAOYSA-N

• 2-Mercaptobenzolyl-alpha-(2-aminothiazol-4-yl)-alpha-[(tert-butoxycarbonyl)isopropoxyimino]acetate

IUPAC Name: tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate | CAS Registry Number: 89604-92-2
Synonyms: (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate, AGN-PC-00N51Y, CTK8B4540, TERT-BUTYL 2-{[(Z)-[1-(2-AMINO-1,3-THIAZOL-4-YL)-2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-OXOETHYLIDENE]AMINO]OXY}-2-METHYLPROPANOATE, ANW-45421, 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-, A843248, (E)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate, 2-[[1-(2-amino-4-thiazolyl)-2-(1,3-benzothiazol-2-ylthio)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid tert-butyl ester, tert-butyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate, tert-butyl 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoate

Molecular Formula:	C₂₀H₂₂N₄O₄S₃	Molecular Weight:	478.608080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	11

InChIKey: RCZJVHXVCSKDKB-UHFFFAOYSA-N

• 2,2-Dimethyl-1,3-Dioxolane-4-Carboxylic Acid

IUPAC Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid | CAS Registry Number: 62075-55-2
Synonyms: CID10909699, EN000137, 2,2-dimethyl-1,3-dioxolane-4-carboxylic Acid, I04-0979

Molecular Formula:	C₆H₁₀O₄	Molecular Weight:	146.141200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OZPFVBLDYBXHAF-UHFFFAOYSA-N

• 2-(2-Aminothiazole-4-yl)-2-methoxyiminoa

IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid | CAS Registry Number: 65872-41-5
Synonyms: EINECS 265-957-0, 2-Aminothiazole-methoxyimino acetic acid, (Z)-2-Amino-alpha-(methoxyimino)thiazol-4-acetic acid

Molecular Formula:	C₆H₇N₃O₃S	Molecular Weight:	201.203080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NLARCUDOUOQRPB-RUDMXATFSA-N

• 2-Methylpyrimidine

IUPAC Name: 2-methylpyrimidine | CAS Registry Number: 5053-43-0
Synonyms: Pyrimidine, 2-methyl-, TL8003355, 55133-63-6

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LNJMHEJAYSYZKK-UHFFFAOYSA-N

• 2,3,4,5-Tetrahydro-1hbenzo[e][1,4]diazepine

IUPAC Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine | CAS Registry Number: 5946-39-4
Synonyms: 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine, 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine, 1904-65-0, AC1MCKFZ, PubChem14772, ACMC-1ANOK, SureCN379799, AC1Q1I93, BEN025, BEN206, CHEMBL323692, CTK1G9067, CHEBI:295461, MolPort-000-006-540, DNC012507, AKOS005254212, AC-6564, AG-E-39051, AG-G-11908, GL-0231

Molecular Formula:	C₉H₁₂N₂	Molecular Weight:	148.204980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MLXBHOCKBUILHN-UHFFFAOYSA-N

• (-)-Epicatechin

IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 490-46-0
Synonyms: Epicatechin, L-Epicatechin, Epicatechol, (-)-Epicatechol, l-Acacatechin, l-Epicatechol, epi-Catechin, epi-Catechol, Catechin l-form, .alpha. Catechin, Epicatechin-(-), Epicatechol, (-)-, Prestwick_203, 2,3-cis-epicatechin, Spectrum_000159, SpecPlus_000267, Spectrum2_000675, Spectrum3_000243, Spectrum4_000949, Spectrum5_000929

Molecular Formula:	C₁₅H₁₄O₆	Molecular Weight:	290.268060 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-N

• (1R,1'R)-2,2'-(3,11-Dioxo-4,10-Dioxatridecamethylene)-Bis-(1,2,3,4-Tetrahydro-6,7-Dimethoxy-1-Veratrylisoquindline)-Dioxalate

IUPAC Name: 5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid | CAS Registry Number: 96687-52-4
Synonyms: CisAtracurium Oxalate, RL06086

Molecular Formula:	C₅₅H₇₀N₂O₂₀	Molecular Weight:	1079.145700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	22

InChIKey: NGJVDNJEQWIMBU-DBGKOQSZSA-N

• 2H-INDAZOLE-3-CARBOXYLIC ACID,2-METHYL-,METHYL ESTER

IUPAC Name: methyl 2-methylindazole-3-carboxylate | CAS Registry Number: 109216-61-7
Synonyms: 2H-Indazole-3-carboxylic acid, 2-methyl-, methyl ester, AGN-PC-00DKLM, SureCN1562180, IND009

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HNLOSGZWYFSRAU-UHFFFAOYSA-N

• 4-Chloro-2,3-dimethylpyridine-N-oxide

IUPAC Name: 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium | CAS Registry Number: 59886-90-7
Synonyms: NSC275262

Molecular Formula:	C₇H₈ClNO	Molecular Weight:	157.597520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MCUYHRNUDDANSO-UHFFFAOYSA-N

• (-)-Epigallocatechin

IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 970-74-1
Synonyms: Epigallocatechin, Epigallocatechol, L-Epigallocatechin, Gallocatechin, Gallocatechol, epi-Gallocatechin, l-Epigallocatechol, Antiscurvy factor C2, (-)-Epigallocatechol, Factor C2 (antiscurvy), nchembio.246-comp3, Spectrum_000806, SpecPlus_000269, Spectrum2_000703, Spectrum3_000248, Spectrum4_000950, Spectrum5_000889, 2,3-cis-epigallocatechin, Antiscurvy factor C(sub 2), CCRIS 5441

Molecular Formula:	C₁₅H₁₄O₇	Molecular Weight:	306.267460 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	7

InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N

• 2-Methyl-4-Methoxy-Diphenylamine (ANMT)

IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline | CAS Registry Number: 41317-15-1
Synonyms: CBMicro_015444, Oprea1_800706, MLS000061199, 4-Methoxy-N-phenyl-o-toluidine, 4-Methoxy-2-Methyl Diphenylamine, 4-methoxy-2-methyl-N-phenylaniline, EINECS 255-310-0, ZINC00236039, (4-methoxy-2-methylphenyl)phenylamine, Benzenamine, 4-methoxy-2-methyl-N-phenyl-, SMR000069267, BIM-0015468.P001, TL8006524

Molecular Formula:	C₁₄H₁₅NO	Molecular Weight:	213.275000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N

• 1H-imidazole-1-acetic acid

IUPAC Name: 2-imidazol-1-ylacetic acid | CAS Registry Number: 22884-10-2
Synonyms: Imidazol-1-yl-acetic acid, 1-Imidazolylacetic acid, 1H-imidazol-1-ylacetic acid, MLS000074022, ALBB-000273, SBB010182, BAS 05947792, SMR000013538, EC-000.1971

Molecular Formula:	C₅H₆N₂O₂	Molecular Weight:	126.113340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QAFBDRSXXHEXGB-UHFFFAOYSA-N

• 6-Methoxy-2,3-Diaminopyridine(Being developed)

IUPAC Name: 6-methoxypyridine-2,3-diamine dihydrochloride | CAS Registry Number: 94166-62-8
Synonyms: EINECS 303-358-9, 6-Methoxy-2,3-pyridinediamine HCl, CID3023919, 6-Methoxypyridine-2,3-diamine dihydrochloride, 2,3-Pyridinediamine, 6-methoxy-, dihydrochloride

Molecular Formula:	C₆H₁₁Cl₂N₃O	Molecular Weight:	212.077040 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: HFTXXPTXSCLIIP-UHFFFAOYSA-N

• 6-Nitroveratric Acid Methyl Ester

IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate | CAS Registry Number: 26791-93-5
Synonyms: Oprea1_288439, Methyl 4,5-dimethoxy-2-nitrobenzoate, EINECS 248-008-5, ZINC00056523, ST5319772, TL8002130, 4,5-Dimethoxy-2-nitrobenzoic acid, methyl ester, Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester, InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H

Molecular Formula:	C₁₀H₁₁NO₆	Molecular Weight:	241.197440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

• 6-benzoylhexanoic Acid

IUPAC Name: 7-oxo-7-phenylheptanoic acid | CAS Registry Number: 7472-43-7
Synonyms: 6-Benzoylhexanoic acid, 7-Oxo-7-phenylheptanoic acid, 6-BENZOYL HEXANOIC ACID, NSC401949, XBX 00039, SR-01000507532-2

Molecular Formula:	C₁₃H₁₆O₃	Molecular Weight:	220.264340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DOQWHEUDAHLEPT-UHFFFAOYSA-N

• 3-Nitro-4-Chloro-5-Sulfamoyl Benzoic Acid

IUPAC Name: 4-chloro-3-nitro-5-sulfamoylbenzoic acid | CAS Registry Number: 22892-96-2
Synonyms: EINECS 245-310-9, SBB003020, 4-Chloro-3-nitro-5-sulphamoylbenzoic acid, LS-36036

Molecular Formula:	C₇H₅ClN₂O₆S	Molecular Weight:	280.642400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ACYLUAGCBGTEJF-UHFFFAOYSA-N

• 6,7-Dimethoxy-2-piperazino-4-aminoquinazoline

IUPAC Name: 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine | CAS Registry Number: 60547-97-9
Synonyms: 2-Padqz, Oprea1_697372, CBDivE_007723, MLS000060939, SDCCGMLS-0023979.P002, SMR000069167, ST5451605, TL8003833, EU-0016066, 6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine, 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline, 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinqzoline, 4-Quinazolinamine, 6,7-dimethoxy-2-(1-piperazinyl)-

Molecular Formula:	C₁₄H₁₉N₅O₂	Molecular Weight:	289.332960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: APKHJGDGWQDBGM-UHFFFAOYSA-N

• 1-(3-methylisoxazol-5-yl)ethanol

IUPAC Name: 1-(3-methyl-1,2-oxazol-5-yl)ethanol | CAS Registry Number: 71502-43-7
Synonyms: EN001267

Molecular Formula:	C₆H₉NO₂	Molecular Weight:	127.141160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QLOCZOGQZFCJAZ-UHFFFAOYSA-N

• 1-Chlorodiethyl carbonate

IUPAC Name: 1-chloroethyl ethyl carbonate | CAS Registry Number: 50893-36-2
Synonyms: 1-Chloroethyl ethyl carbonate, 23030_FLUKA, EINECS 256-832-1, Carbonic acid, 1-chloroethyl ethyl ester

Molecular Formula:	C₅H₉ClO₃	Molecular Weight:	152.576160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N

• 4-Amino-N-methylbenzenemethanesulfonamide

IUPAC Name: 1-(4-aminophenyl)-N-methylmethanesulfonamide | CAS Registry Number: 109903-35-7
Synonyms: 1-(4-aminophenyl)-N-methylmethanesulfonamide, ST50825454, {[(4-aminophenyl)methyl]sulfonyl}methylamine, ZINC02567350, PubChem3014, AC1MCSLQ, ACMC-1BNZX, SureCN631823, 647179_ALDRICH, BEN105, CTK4A6697, MolPort-001-766-011, 4-Amino-N-methylbenzylsulphonamide, ANW-44419, SBB092638, AKOS009158415, AG-D-26963, MCULE-7276367995, 4-Amino-N-methyl-alpha-toluenesulfonamide, 4-Animophenyl-N-methyl methanesulfonamide

Molecular Formula:	C₈H₁₂N₂O₂S	Molecular Weight:	200.258080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl)-4-(4-Nitrophenyl)Piperazine

IUPAC Name: 1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine | CAS Registry Number: 74852-61-2
Synonyms: 1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine, AG-G-97871, 1-(4-methoxyphonyl)-4-(4-nitrophenyl)piperazine, AG-205/13056226, ZINC04117395, AC1NO9RB, SureCN2550023, Oprea1_198905, PIP024, CTK2H6913, MolPort-002-706-245, STK761016, AKOS001131144, MCULE-5739559005, AC-10977, AK-40861, AB1008558, KB-147406, TL8005141, FT-0641542

Molecular Formula:	C₁₇H₁₉N₃O₃	Molecular Weight:	313.351060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: AVCKOFMRPAJEPN-UHFFFAOYSA-N

• 6-Iodopurine

IUPAC Name: 6-iodo-7H-purine | CAS Registry Number: 2545-26-8
Synonyms: Purine, 6-iodo-, Purine analog, 6-Iodo-9H-purine, 1H-Purine, 6-iodo-, Ambap1861, 1H-Purine, 6-iodo-, hemihydrate, EINECS 219-825-4, 1H-Purine, 6-iodo- (9CI), NSC 25803, AIDS045528, AIDS-045528, NSC25803, AI3-50271, LS-127096

Molecular Formula:	C₅H₃IN₄	Molecular Weight:	246.008590 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NIBFSSALYRLHPY-UHFFFAOYSA-N

• 1-Deoxynojirimycin

IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 19130-96-2
Synonyms: 1-DEOXYNOJIRIMYCIN, 1oim, 1-Deoxymannojirimycin, 1-Deoxy-Nojirimycin, nchembio.81-comp10, 1-deoxynojirimycin (DNJ), Bay n 5595, BSPBio_000993, 1,5-Deoxy-1,5-imino-D-mannitol, C6H13NO4, 2j77, AIDS000139, Bio1_000415, Bio1_000904, Bio1_001393, AIDS-000139, 1,5-Dideoxy-1,5-imino-D-glucitol, SMP2_000333, NCGC00025085-02, NCGC00025085-03

Molecular Formula:	C₆H₁₃NO₄	Molecular Weight:	163.171720 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N

• 3,5-DIBROMO-2-HYDROXY-6-METHYLPYRIDINE

IUPAC Name: 3,5-dibromo-6-methyl-1H-pyridin-2-one | CAS Registry Number: 500587-45-1
Synonyms: 3,5-dibromo-6-methylpyridin-2-ol, 3,5-Dibromo-2-hydroxy-6-methylpyridine, F3099-5708, NSC142461, ACMC-209kjv, AC1Q23QT, SureCN1201473, PYR137, CTK4J2031, MolPort-000-294-767, 3,5-dibromo-6-methyl-2-pyridinol, AC1L6365, ANW-30905, AR-1E9535, SBB016177, ZINC08717786, AKOS000273261, AG-K-72780, MCULE-2361419516, NSC-142461

Molecular Formula:	C₆H₅Br₂NO	Molecular Weight:	266.918000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KOBUELJRZDJHTE-UHFFFAOYSA-N

• 4-Methyl-2-(2'-Nitrophenyl)azophenol

IUPAC Name: (6E)-4-methyl-6-[(2-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one | CAS Registry Number: 1435-71-8
Synonyms: 2-((o-Nitrophenyl)azo)-p-cresol, 2-Hydroxy-5-methyl-2'-nitroazobenzene, EINECS 215-863-0, p-Cresol, 2-((o-nitrophenyl)azo)-, CID6432106, Phenol, 4-methyl-2-((2-nitrophenyl)azo)-, Phenol, 4-methyl-2-(2-(2-nitrophenyl)diazenyl)-

Molecular Formula:	C₁₃H₁₁N₃O₃	Molecular Weight:	257.244740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GLFDXJBEJWBCQP-RVDMUPIBSA-N

• (+)-Usnic acid

IUPAC Name: (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione | CAS Registry Number: 7562-61-0
Synonyms: Usninic acid, d-Usnic acid, Usnic acid, (-)-, NSC5890, AIDS028613, D-USNIC ACID (+490), AIDS-028613, NSC 5889, EINECS 228-181-3, NSC149788, 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-, (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione, 6159-66-6

Molecular Formula:	C₁₈H₁₆O₇	Molecular Weight:	344.315440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: CUCUKLJLRRAKFN-KKIBXBACSA-N

• 3-Amino-4-chlorobenzoic acid dodecyl ester

IUPAC Name: dodecyl 3-amino-4-chlorobenzoate | CAS Registry Number: 6195-20-6
Synonyms: DODECYL 3-AMINO-4-CHLOROBENZOATE, 3-Amino-4-chloro benzoic acid dodecylester, AG-G-26700, SureCN2892370, CTK5B4090, MolPort-003-987-017, dodecyl-3-amino-4-chloro benzoate, ACT07551, ANW-52938, SBB063480, AKOS015843234, 2-Chloro-5-(dodecyloxycarbonyl)aniline;, AC-13717, AK-94258, KB-180621, TL8003991, FT-0636019, Benzoic acid,3-amino-4-chloro-, dodecyl ester, I01-1808, I01-6483

Molecular Formula:	C₁₉H₃₀ClNO₂	Molecular Weight:	339.900000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PFDZHCMFQQMXSB-UHFFFAOYSA-N

• 4'-[(2-n-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile | CAS Registry Number: 138401-24-8
Synonyms: [1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile, [1,1'-Biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, 4'-((2-butyl-4-oxo-1,3-diazaspiro(4.4)non-1-en-3-yl)methyl)biphenyl-2-carbonitrile, [1.1 inverted exclamation marka-Biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro [4.4]non-1-en-3-yl)methyl], 4'-((2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile, 4'-[(2-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-(1,1'-BIPHENYL)-2-CARBONITRILE, 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-N-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-(1,1'-BIPHENYL)-2-CARBONITRILE, 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile, ACMC-20mxjx, SureCN1316335, CHEMBL332051, CTK4C1245, CHEBI:286513, MolPort-003-986-399, ZINC13833593, AKOS015895294, AB25775, AG-D-77703

Molecular Formula:	C₂₅H₂₇N₃O	Molecular Weight:	385.501380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: KWEQEHOPDHARIA-UHFFFAOYSA-N

• 4-chloro-2-phenylquinazoline

IUPAC Name: 4-chloro-2-phenylquinazoline | CAS Registry Number: 6484-25-9
Synonyms: Am-ex-ol, 4-Chloro-2-phenylquinazoline, 162434_ALDRICH, EINECS 229-346-2, NSC400965, ZINC00119657, ST5308652

Molecular Formula:	C₁₄H₉ClN₂	Molecular Weight:	240.687660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N

• 4-Pyridinecarboxaldehyde

IUPAC Name: pyridine-4-carbaldehyde | CAS Registry Number: 872-85-5
Synonyms: Isonicotinaldehyde, p-Pyridinealdehyde, 4-Pyridinealdehyde, Isonicotinic aldehyde, 4-Pyridylaldehyde, p-Formylpyridine, Pyridine-4-carbaldehyde, 4-FORMYLPYRIDINE, Pyridin-4-al, gamma-Formylpyridine, Pyridine-4-carboxaldehyde, Pyridine-4-ylcarboxaldehyde, P62402_ALDRICH, NSC 8953, EINECS 212-832-3, NSC8953, c1163, SBB004357, ZINC00157163, AI3-33232

Molecular Formula:	C₆H₅NO	Molecular Weight:	107.110000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

• 2-Cyano-6-hydroxybenzothiazole

IUPAC Name: 6-hydroxy-1,3-benzothiazole-2-carbonitrile | CAS Registry Number: 939-69-5
Synonyms: 6-hydroxybenzo[d]thiazole-2-carbonitrile, 6-Hydroxy-2-Benzothiazolecarbonitrile, AG-H-85720, 6-hydroxy-1,3-benzothiazole-2-carbonitrile, PubChem19680, SureCN140656, BEN041, CTK3I6574, MolPort-003-824-256, ACT08716, ANW-51705, GEO-00837, SBB067091, ZINC02565191, AKOS005257673, AC-7689, RP23787, 2-Benzothiazolecarbonitrile, 6-hydroxy-, AK-24194, BR-24194

Molecular Formula:	C₈H₄N₂OS	Molecular Weight:	176.195160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SQAVNBZDECKYOT-UHFFFAOYSA-N

• 1,4-Dithiothreithol

IUPAC Name: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol | CAS Registry Number: 27565-41-9
Synonyms: Dithiothreitol, Sputolysin, dl-Dithiothreitol, Cleland's reagent, rac-Dithiothreitol, 1,4-Dithiothreitol, D-Dtt, Reagents, Cleland's, D-1,4-Dithiothreitol, (+/-)-Dithiothreitol, nchembio.121-comp22, DL-1,4-Dithiothreitol, 1,4-Dithio-dl-threitol, DL-Dithiothreitol solution, DTT (threitol derivative), D9163_SIGMA, D9779_SIGMA, D0632_SIAL, D5545_SIAL, 43815_FLUKA

Molecular Formula:	C₄H₁₀O₂S₂	Molecular Weight:	154.251000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VHJLVAABSRFDPM-QWWZWVQMSA-N

• 1H-BENZO[D]IMIDAZOLE-4-CARBOXAMIDE,2-(METHYLTHIO)-

IUPAC Name: 2-methylsulfanyl-1H-benzimidazole-4-carboxamide | CAS Registry Number: 636574-49-7
Synonyms: SureCN6842031, SureCN6939187, BEN029, 1H-Benzimidazole-4-carboxamide, 2-(methylthio)-

Molecular Formula:	C₉H₉N₃OS	Molecular Weight:	207.252260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WQTMLBRKKDOVKP-UHFFFAOYSA-N

• 3-Amino-4-(cyclohexylamino) benzoic acid methyl ester

IUPAC Name: methyl 3-amino-4-(cyclohexylamino)benzoate | CAS Registry Number: 503859-27-6
Synonyms: Methyl 3-amino-4-(cyclohexylamino)benzoate, Benzoic acid, 3-amino-4-(cyclohexylamino)-, methyl ester, AC1N39MI, SureCN5065680, BEN137, CTK4J2559, MolPort-007-926-778, HMS1646A21, AKOS001585686, AG-F-69440, MB13523, MCULE-3949320547, KB-180599, 3-amino-4-(cyclohexylamino)benzoic acid methyl ester, Benzoic acid,3-amino-4-(cyclohexylamino)-, methyl ester, 3-AMINO-4-(CYCLOHEXYLAMINO) BENZOIC ACID METHYL ESTER, 3-AMINO-4-(CYCLOHEXYLAMINO) BENZOIC ACID METHYL ESTER;Benzoic acid, 3-amino-4-(cyclohexylamino)-,methyl ester

Molecular Formula:	C₁₄H₂₀N₂O₂	Molecular Weight:	248.320800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QZHHJKXBIHAXTB-UHFFFAOYSA-N

• 5-Methoxysalicylaldehyde

IUPAC Name: 2-hydroxy-5-methoxybenzaldehyde | CAS Registry Number: 672-13-9
Synonyms: m-Anisaldehyde, 6-hydroxy-, 2-Hydroxy-5-methoxybenzaldehyde, Salicylaldehyde, 5-methoxy-, WLN: VHR BQ EO1, Benzaldehyde, 2-hydroxy-5-methoxy-, 146862_ALDRICH, NSC30116, EINECS 211-589-0, NSC 30116, AIDS166532, AIDS-166532, CID95695, BRN 1100532, ZINC01656240, AI3-19305, LS-20026, Benzaldehyde, 2-hydroxy-5-methoxy- (9CI), TL8004738, 4-08-00-01759 (Beilstein Handbook Reference), T0515-2971

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N

• 4-(1H-1,2,4-Triazolylmethyl)benzonitrile

IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzonitrile | CAS Registry Number: 112809-25-3
Synonyms: 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, CHEMBL1825020, SBB055139, 4-(1,2,4-triazol-1-ylmethyl)benzonitrile, 4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile, 4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile, 4-[1-(1,2,4-Triazolyl)methyl]benzontrile, 4-(1,2,4-triazolylmethyl)benzenecarbonitrile, 4-[(1h-1,2,4-triazol-1-yl)methyl]benzonitrile, ZINC05177719, AC1ONMHB, PubChem14356, AC1Q4R34, BEN164, SCHEMBL2285580, Jsp000988, CTK7C7789, HQLYWHSJALKYOV-UHFFFAOYSA-N, MolPort-000-143-352, ACT08694

Molecular Formula:	C₁₀H₈N₄	Molecular Weight:	184.197320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HQLYWHSJALKYOV-UHFFFAOYSA-N

• 2-Bromo-6-methoxybenzothiazole

IUPAC Name: 2-bromo-6-methoxy-1,3-benzothiazole | CAS Registry Number: 2941-58-4
Synonyms: 2-BROMO-6-METHOXYBENZO[D]THIAZOLE, Benzothiazole, 2-bromo-6-methoxy-, 2-bromo-6-methoxy-1,3-benzothiazole, AG-E-95725, PubChem17252, SureCN299010, KSC495G5J, AGN-PC-004M0X, BEN169, CTK3J5354, ACT09488, ANW-51795, ZINC11920187, AKOS015898861, LS40639, RP28638, AK-23615, BR-23615, EN001606, KB-21615

Molecular Formula:	C₈H₆BrNOS	Molecular Weight:	244.108340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YNONWDJSSPJFBQ-UHFFFAOYSA-N

• 1-Methyl-3-Nitrophthalate

IUPAC Name: 2-methoxycarbonyl-6-nitrobenzoic acid | CAS Registry Number: 21606-04-2
Synonyms: 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, 3-nitro-2-Carboxyl methyl benzoate, ST50170924, 1,2-Benzenedicarboxylicacid, 3-nitro-1-methylester, AC1NACBV, SureCN2598194, BEN007, Jsp004386, CTK8C0052, Methyl 2-carboxy-3-nitrobenzoate, methyl 3-nitro-2-carboxylbenzoate, MolPort-000-519-133, ANW-63954, RW3124, 2-methoxycarbonyl-6-nitrobenzoic acid, 3-Nitro-phthalic acid 1-Methyl ester, AKOS002268896, 2-Nitro-6-methoxycarbonyl benzoic acid, AC-4830

Molecular Formula:	C₉H₇NO₆	Molecular Weight:	225.154980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: DJMQLZPEBHSABD-UHFFFAOYSA-N

• 2-Bromo-1-cyclopropylethan-1-one

IUPAC Name: 2-bromo-1-cyclopropylethanone | CAS Registry Number: 69267-75-0
Synonyms: 2-bromo-1-cyclopropylethanone, 2-bromo-1-cyclopropylethan-1-one, Ethanone, 2-Bromo-1-Cyclopropyl-, 2-Bromo-1-Cycloproplyethan-1-One, AG-G-69313, F2158-1114, 2-bromo-1-cyclopropyl-ethanone, PubChem21100, AC1Q27FB, AC1Q27FC, BROMOACETYLCYCLOPROPANE, KSC492O6N, (BROMOACETYL)CYCLOPROPANE, CTK3J2766, 2-bromanyl-1-cyclopropyl-ethanone, MolPort-004-760-246, RD-51, ACT03215, ANW-47136, BROMOMETHYL CYCLOPROPYL KETONE

Molecular Formula:	C₅H₇BrO	Molecular Weight:	163.012480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WCCCDMWRBVVYCQ-UHFFFAOYSA-N

• 4-1H-PYRIMIDINONE,2-AMINO-6-HYDROXY-5-(ISOPROPYL)-

IUPAC Name: 2-amino-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one | CAS Registry Number: 500161-23-9
Synonyms: 2-Amino-4,6-dihydroxy-5-isopropylpyrimidine, SureCN12495442, PYR081, CTK6A4514, ZINC12653896, AKOS012865149, AG-B-89356, HP21523, OR15927, 2-amino-5-isopropylpyrimidine-4,6-diol, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-(1-methylethyl)-

Molecular Formula:	C₇H₁₁N₃O₂	Molecular Weight:	169.181140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: GWBXUTJCYUUSDY-UHFFFAOYSA-N

• (E)-Cardamonin

IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one | CAS Registry Number: 19309-14-9
Synonyms: Cardamonin, MLS000876992, MEGxp0_000534, ACon1_000221, CHEBI:449910, AIDS345183, AIDS-345183, CID641785, LMPK12120245, ZINC04716487, 2'4'-Dihydroxy-6'-methoxy-chalcone, NCGC00180767-01, SMR000440601, 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-, BRD-K61559475-001-01-0, 1-(2\',4\'-Dihydroxy-6\'-methoxy-phenyl)-3-phenyl-propenone, (2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one, (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one, (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one, InChI=1/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7

Molecular Formula:	C₁₆H₁₄O₄	Molecular Weight:	270.279960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-N

• 4-hydroxy-4'-isopropoxydiphenylsulfone(D-8) developer

IUPAC Name: 4-(4-propan-2-yloxyphenyl)sulfonylphenol | CAS Registry Number: 95235-30-6
Synonyms: 4-hydroxy-4'-isopropoxydiphenylsulfone, D8(HPS), 4-(4-Isopropoxyphenylsulfonyl) Phenol, PubChem20393, 4-(4-propan-2-yloxyphenyl)sulfonylphenol, SureCN26268, CTK8F6028, MolPort-003-987-480, 4-(4-isopropoxyphenyl)sulfonylphenol, ZINC02386004, AKOS015897599, AG-L-64017, 4-((4-Isopropoxyphenyl)sulfonyl)phenol, AC-19660, AK122331, TL8005986, 4-Isopropyloxyphenyl-4'-Hydroxyphenylsulfone, FT-0642301, ST51053647, A845247

Molecular Formula:	C₁₅H₁₆O₄S	Molecular Weight:	292.350140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZTILAOCGFRDHBH-UHFFFAOYSA-N

• 2-Mercaptothiazole

IUPAC Name: 3H-1,3-thiazole-2-thione | CAS Registry Number: 82358-09-6
Synonyms: 2(3H)-Thiazolethione, 2-Thiazolethiol, Thiazoline-2-thione, 2-Mercapto-1,3-thiazole, 1,3-thiazole-2-thiol, .DELTA.4-Thiazoline-2-thione, 5685-05-2, 4-Thiazoline-2-thione, 1,3-Thiazol-2-yl hydrosulfide, NSC24294, SBB066357, 3H-thiazole-2-thione, 3H-1,3-thiazole-2-thione, 2-Mercapto thiazole, ACMC-209pog, AC1Q7GBK, SureCN23753, delta4-Thiazoline-2-thione, SureCN9646912, KSC232C9H

Molecular Formula:	C₃H₃NS₂	Molecular Weight:	117.192620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OCVLSHAVSIYKLI-UHFFFAOYSA-N

• 4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid

IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 152628-03-0
Synonyms: 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid, 4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid, 4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid, 2-n-propyl-4-methyl-6-carboxy benzimidazole, 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-, 1H-Benzimidazole-5-carboxylicacid, 7-methyl-2-propyl-, zlchem 378, PubChem8376, ACMC-20aj4a, SureCN158112, SureCN158113, KSC174I8N, BEN034, BEN587, Jsp002945, CTK0H4486, ZLC0222, MolPort-003-844-710, ACN-S004356, ACT02016

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XWAJTVCEILFDGU-UHFFFAOYSA-N

• 5-Isopropyl-2-pyrimidinamine

IUPAC Name: 5-propan-2-ylpyrimidin-2-amine | CAS Registry Number: 98432-17-8
Synonyms: 5-isopropylpyrimidin-2-amine, 2-amino-5-isopropyl-pyrimidine, SureCN84396, PYR276, CTK5H9850, MolPort-003-987-499, 5-(1-methylethyl)-2-pyrimidinamine, ANW-56558, FD7250, SBB069902, ZINC21301164, AKOS012857231, AG-H-99563, HP21357, QC-5565, 2-Pyrimidinamine, 5-(1-methylethyl)-, AK-29640, EN001525, HC210405, KB-195532

Molecular Formula:	C₇H₁₁N₃	Molecular Weight:	137.182340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YKVWHWNSINXNPF-UHFFFAOYSA-N

• 4-BromoCinnamic Acid

IUPAC Name: 3-(4-bromophenyl)prop-2-enoic acid | CAS Registry Number: 1200-07-3
Synonyms: p-Bromocinnamic acid, 4-Bromocinnamic acid, EINECS 214-850-7, BRN 1939350, 2-Propenoic acid, 3-(4-bromophenyl)-, LS-123579, 0-09-00-00597 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₇BrO₂	Molecular Weight:	227.054680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CPDDDTNAMBSPRN-UHFFFAOYSA-N