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Topharman Shanghai Co Ltd

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Address: Building 1, No.388 Jialilue Road, Zhangjiang Hitech Park, Pudong, Shanghai 201203, China
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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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• 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: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAFBDRSXXHEXGB-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: C6H5NOMolecular Weight: 107.110000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

• 2,3-Butanediol
IUPAC Name: (2S,3S)-butane-2,3-diol | CAS Registry Number: 513-85-9
Synonyms: (S,S)-2,3-Butanediol, (S,S)-Butane-2,3-diol, (S,S)-2,3-Butylene glycol, L-()-2,3-Butanediol, 300349_ALDRICH, (2S,3S)-butane-2,3-diol, 18967_FLUKA, CHEBI:16812, (S,S)-(+)-2,3-butanediol, CPD-346, 2,3-BUTANEDIOL, 96%, (2S,3S)-()-2,3-Butanediol, (2S,3S)-(+)-2,3-Butanediol, ZINC00901619, TL8001564, C03046, 19132-06-0, BU3

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OWBTYPJTUOEWEK-IMJSIDKUSA-N

• 2-Amino-6-Methoxy-3-Nitropyridine
IUPAC Name: 6-methoxy-3-nitropyridin-2-amine | CAS Registry Number: 73896-36-3
Synonyms: 2-Amino-6-methoxy-3-nitropyridine, 6-methoxy-3-nitropyridin-2-amine, 2-Amino-3-nitro-6-methoxypyridine, 6-Methoxy-3-nitro-2-pyridinamine, 6-methoxy-3-nitro-2-pyridylamine, SBB012817, AG-G-92916, 2-AMINO-3-NITRO-6-METHOXY PYRIDINE, ZERO/004623, PubChem5689, ACMC-1BCYF, AC1MY7MQ, SureCN336303, KSC496M1P, CTK3J6617, MolPort-001-769-013, ACN-S003174, ACT10161, 2-Amino-6-methoxy-3-nitropyridine,, ANW-36409

Molecular Formula: C6H7N3O3Molecular Weight: 169.138080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RDJILYVRVOTMTQ-UHFFFAOYSA-N

• 3' Acetamidoacetophenone
IUPAC Name: N-(3-acetylphenyl)acetamide | CAS Registry Number: 7463-31-2
Synonyms: 3-Acetylacetanilide, 3'-Acetamidoacetophenone, 3-Acetamidoacetophenone, N-(3-acetylphenyl)acetamide, 00188_FLUKA, NSC404340, CID346202, SBB005777, ZINC00363261, TL806426, AN-652/41025152

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AFZTYHRVDOKRKV-UHFFFAOYSA-N

• 4-Biphenyl Acetic Acid
IUPAC Name: 2-(4-phenylphenyl)acetic acid | CAS Registry Number: 5728-52-9
Synonyms: felbinac, Dolinac, Traxam, Napageln, Target, Ledergel, Seltouch, Dolonac, Napagel, Selspot, 4-BIPHENYLACETIC ACID, 4-Carboxymethylbiphenyl, 4-Biphenylylacetic acid, Felbinacum [Latin], Biphenylylacetic acid, p-Biphenylylacetic acid, Felbinaco [Spanish], Biphenylacetic acid, Zenol EXUM, Felbinac (TN)

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N

• 1,3,5-Benzenetricarboxylic Acid
IUPAC Name: benzene-1,3,5-tricarboxylic acid | CAS Registry Number: 554-95-0
Synonyms: Trimesic acid, Trimesinic acid, Trimesitinic acid, 5-Carboxyisophthalic acid, 1,3,5-Tricarboxybenzene, 1,3,5-BENZENETRICARBOXYLIC ACID, Ambap1488, benzene-1,3,5-tricarboxylic acid, NCIOpen2_009462, 482749_ALDRICH, NSC 3998, 92130_FLUKA, CHEBI:46032, EINECS 209-077-7, NSC3998, AIDS018148, AIDS-018148, AI3-06468, LS-195254, TL8003619

Molecular Formula: C9H6O6Molecular Weight: 210.140340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-N

• 2-Chloro-1,4-naphthoquinone
IUPAC Name: 2-chloronaphthalene-1,4-dione | CAS Registry Number: 1010-60-2
Synonyms: 2-Chloronaphthoquinone, 1,4-Naphthalenedione, 2-chloro-, 2-chloronaphthalene-1,4-dione, WLN: L66 BV EVJ CG, CHEBI:28160, EINECS 213-776-2, 1,4-NAPHTHOQUINONE, 2-CHLORO-, AIDS017893, NSC 400597, AIDS-017893, BRN 1867045, NSC400597, LS-95624, 1,4-Naphthalenedione, 2-chloro- (9CI), C03753, 4-07-00-02425 (Beilstein Handbook Reference)

Molecular Formula: C10H5ClO2Molecular Weight: 192.598500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CCTJHVLTAJTPBV-UHFFFAOYSA-N

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 1,4-Benzodioxan-2-Carboxylic Acid
IUPAC Name: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylate | CAS Registry Number: 3663-80-7
Synonyms: ZINC00054812

Molecular Formula: C9H7O4-Molecular Weight: 179.149480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HMBHAQMOBKLWRX-MRVPVSSYSA-M

• 19-Norandrost-5(10)-Ene-Dione
IUPAC Name: (8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 3962-66-1
Synonyms: Oestr-5(10)-ene-3,17-dione, EINECS 223-564-1, LS-64836

Molecular Formula: C18H24O2Molecular Weight: 272.381960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RORYLAUXKSWMQL-CBZIJGRNSA-N

• 2 4-Dihydroxy Quinoline
IUPAC Name: 2-hydroxy-1H-quinolin-4-one | CAS Registry Number: 86-95-3
Synonyms: 2,4-Quinolinediol, 2,4-Dihydroxyquinoline, Hydroxycarbostyril, Quinoline-2,4-diol, 4-Hydroxycarbostyril, 4-Hydroxy-2-quinolone, 4-Hydroxy-2-quinolinone, 2,4-Quinolinediol-, CARBOSTYRIL, 4-HYDROXY-, Maybridge1_006493, 2, 4-Dihydroxyquinoline-, 2(1H)-Quinolinone, 4-hydroxy-, 4-Hydroxyquinolin-2(1H)-one, Q1336_ALDRICH, Oprea1_337514, Oprea1_706175, MLS000716246, STOCK1N-24491, EINECS 201-711-0, NSC 12465

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HDHQZCHIXUUSMK-UHFFFAOYSA-N

• 2-(2-Aminothiazole-4-Yl)-2-Methoxyimioacetic Acid
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: C6H7N3O3SMolecular Weight: 201.203080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: NLARCUDOUOQRPB-RUDMXATFSA-N

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,4,5-Trimethoxy Benzoic Acid
IUPAC Name: 2,4,5-trimethoxybenzoic acid | CAS Registry Number: 490-64-2
Synonyms: Asaronic acid, 2,4,5-Trimethoxybenzoic acid, 138894_ALDRICH, Benzoic acid, 2,4,5-trimethoxy-, EINECS 207-715-9, 2,4,5,-TRIMETHOXYBENZOIC ACID, AI3-38428, ST5213896, TL8003281, InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KVZUCOGWKYOPID-UHFFFAOYSA-N

• 2,4-Thiazolidine Dione
IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula: C3H3NO2SMolecular Weight: 117.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2-Amino-4,5-Dimethoxy-Benzoic Acid
IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid | CAS Registry Number: 5653-40-7
Synonyms: 6-Aminoveratric acid, 2-Amino-4,5-dimethoxybenzoic acid, 4,5-Dimethoxyanthranilic acid, 252042_ALDRICH, EINECS 227-095-3, SBB007800, FR-0358, Benzoic acid, 2-amino-4,5-dimethoxy-, TL8003658, InChI=1/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HJVAVGOPTDJYOJ-UHFFFAOYSA-N

• 2-Amino-5-Nitrothiazole
IUPAC Name: 5-nitro-1,3-thiazol-2-amine | CAS Registry Number: 121-66-4
Synonyms: Entramin, Enheptin, Enheptin-T, Amnizol soluble, Nitramin IDO, Aminonitrothiazole, Aminzol soluble, Enheptin premix, Enheptin T, Enheptyne, Nitromin ido, Enheptin (VAN), 2-AMINO-5-NITROTHIAZOLE, Aminonitrothiazolum, 2-Thiazolamine, 5-nitro-, Thiazole, 2-amino-5-nitro-, 5-Nitro-2-thiazolylamine, 5-Nitro-2-thiazolamine, 5-Nitro-2-aminothiazole, NSC4

Molecular Formula: C3H3N3O2SMolecular Weight: 145.139820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIHADVKEHAFNPG-UHFFFAOYSA-N

• 2-Hydroxy-5-Nitro Pyridine
IUPAC Name: 5-nitro-1H-pyridin-2-one | CAS Registry Number: 5418-51-9
Synonyms: 2-Hydroxy-5-nitropyridine, 5-Nitro-2-pyridinol, 5-Nitro-2-pyridol, 5-Nitropyridin-2-ol, 5-Nitro-2-hydroxypyridine, 5-(nitro)pyridin-2-ol, H48808_ALDRICH, 2(1H)-Pyridinone, 5-nitro-, NSC9454, AIDS020483, AIDS-020483, NSC10478, EINECS 226-525-7, NSC165495, SBB004167, ZINC00333253, H119, AI3-19235, ST5208948, TL8003557

Molecular Formula: C5H4N2O3Molecular Weight: 140.096860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XKWSQIMYNVLGBO-UHFFFAOYSA-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: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N

• 3,4-Dimethoxy-6-Nitro Benzoic Acid
IUPAC Name: 4,5-dimethoxy-2-nitrobenzoic acid | CAS Registry Number: 4998-07-6
Synonyms: 6-Nitroveratric acid, 4,5-Dimethoxy-2-nitrobenzoic acid, 329231_ALDRICH, ALD-N035267, CID78690, EINECS 225-657-2, ST5307763, TL8003316, InChI=1/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12

Molecular Formula: C9H9NO6Molecular Weight: 227.170860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WWCMFGBGMJAJRX-UHFFFAOYSA-N

• 3,5-Dibenzyloxybenzoic Acid Methyl Ester
IUPAC Name: methyl 3,5-bis(phenylmethoxy)benzoate | CAS Registry Number: 58605-10-0
Synonyms: ZINC04262522, CID2733652, ST5405898

Molecular Formula: C22H20O4Molecular Weight: 348.391800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GBQCMRLPXFXVIN-UHFFFAOYSA-N

• 4-Chloro-3-Nitrobenzoic Acid
IUPAC Name: 4-chloro-3-nitrobenzoic acid | CAS Registry Number: 96-99-1
Synonyms: 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, WLN: WNR BG EVQ, 4-CHLORO-3-NITROBENZOIC ACID, CCRIS 3126, C60007_ALDRICH, NSC 8440, 25450_FLUKA, EINECS 202-550-9, NSC8440, Kyselina 4-chloro-3-nitrobenzoova, BRN 0783626, SBB000404, 4-CHLORO-3-NITROBENZOIC ACIC, Kyselina 4-chloro-3-nitrobenzoova [Czech], LS-36572, TL8006017, 4-09-00-01226 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N

• 4-Aminobutyric Acid
IUPAC Name: 4-aminobutanoic acid | CAS Registry Number: 56-12-2
Synonyms: 4-Aminobutanoic acid, 4-aminobutyric acid, Piperidic acid, Gammalon, Piperidinic acid, GABA, Gammalone, Mielomade, Aminalon, Gaballon, Gammasol, Mielogen, Gamarex, Gammar, gamma-aminobutyric acid, Reanal, 4-aminobutyrate, 4-aminobutanoate, Gamastan, Gammagee

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

• 4,5-Dichloro-2-Nitroaniline
IUPAC Name: 4,5-dichloro-2-nitroaniline | CAS Registry Number: 6641-64-1
Synonyms: 4,5-Dichloro-2-nitroaniline, D68002_ALDRICH, NSC17012, EINECS 229-657-3, SBB003477, ZINC04289464, Benzenamine, 4,5-dichloro-2-nitro-, InChI=1/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H

Molecular Formula: C6H4Cl2N2O2Molecular Weight: 207.014160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FSGTULQLEVAYRS-UHFFFAOYSA-N

• 4,5-Dimethoxyanthranilic Acid Methyl Ester
IUPAC Name: methyl 2-amino-4,5-dimethoxybenzoate | CAS Registry Number: 26759-46-6
Synonyms: Methyl 6-aminoveratrate, Oprea1_336521, CBDivE_002314, Methyl 4,5-dimethoxyanthranilate, MLS000078212, Methyl 2-amino-4,5-dimethoxybenzoate, 07725_FLUKA, 6-Aminoveratric acid methyl ester, EINECS 247-967-7, SBB008554, ZINC00057545, FR-2254, NCGC00020523-01, SMR000038101, TL8002127, EU-0033658

Molecular Formula: C10H13NO4Molecular Weight: 211.214520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N

• 4-Chloro-2-Nitrobenzoic Acid
IUPAC Name: 4-chloro-2-nitrobenzoic acid | CAS Registry Number: 6280-88-2
Synonyms: 4-Chloro-2-nitrobenzoic acid, 2-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-2-nitro-, C59807_ALDRICH, NSC6158, NSC 6158, EINECS 228-483-5, SB 00532, TL806252, ST5319424, Benzoic acid, 4-chloro-2-nitro- (8CI)(9CI), InChI=1/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JAHIPDTWWVYVRV-UHFFFAOYSA-N

• 4-Chloro-3-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid | CAS Registry Number: 1205-30-7
Synonyms: CSBA, 4-Chloro-3-sulfamoylbenzoic acid, Sulfamido-3-chlorobenzoic acid, Oprea1_356117, 4-Chloro-5-sulphamoylbenzoic acid, 293598_ALDRICH, EINECS 214-882-1, CID14568, BRN 2118346, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-, LS-36653, TL806358, ST5319885

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHQAWINGVCDTTG-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: C10H11NO6Molecular Weight: 241.197440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

• 8-Hydroxy-2-Methylquinine
IUPAC Name: 2-methylquinolin-8-ol | CAS Registry Number: 826-81-3
Synonyms: 8-Hydroxyquinaldine, 2-Methyloxine, Hydroxyquinaldine, 2-Methyl-8-quinolinol, 8-Hydroxyqinaldine, 8-Quinolinol, 2-methyl-, 2-Methyl-oxine, 2-Methylquinolin-8-ol, 2-Methyl-8-hydroxyquinoline, Styrylquinoline der., 8-HYDROXY-2-METHYLQUINOLINE, H57602_ALDRICH, 55040_FLUKA, EINECS 212-562-6, NSC 58553, AIDS060452, AIDS-060452, NSC58553, BRN 0119194, SBB009099

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NBYLBWHHTUWMER-UHFFFAOYSA-N

• 4,5-Dimethyl-1,3-dioxol-2-one
IUPAC Name: 4,5-dimethyl-1,3-dioxol-2-one | CAS Registry Number: 37830-90-3
Synonyms: 1,3-Dioxol-2-one,4,5-dimethyl-, CID142210, 1,3-Dioxol-2-one, 4,5-dimethyl-, ST076813, TL8002780

Molecular Formula: C5H6O3Molecular Weight: 114.099340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QYIOFABFKUOIBV-UHFFFAOYSA-N

• 3,5-Di-tert-butyl-2-hydroxybenzaldehyde
IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzaldehyde | CAS Registry Number: 37942-07-7
Synonyms: 140414_ALDRICH, STOCK1S-62613, 3,5-Di-tert-butylsalicylaldehyde, ZINC00056444, 3,5-ditert-butyl-2-hydroxybenzaldehyde, Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl), TL8002784, 3,5-Bis(1,1-dimethylethyl)-2-hydroxy-benzaldehyde, InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H

Molecular Formula: C15H22O2Molecular Weight: 234.333980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RRIQVLZDOZPJTH-UHFFFAOYSA-N

• 5-Norbonene-2,3-dicarboximide
Synonyms: Norendimide, Oprea1_059544, 5-Norbornene-2,3-dicarboximide, NSC31977, NSC31978, NSC53245, 5-Norbornene-2,3-dicarboximide, cis-endo-, 5-Norbornene-endo-2,3-dicarboximide, NSC147237, STK246607, 3,6-Endomethylenetetrahydrophthalimide, NSC 147237, NCGC00160680-01, Norborn-5-ene-2,3-cis-exo-dicarboximide, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboximide, K 2154, K-2154, cis-3,6-Endomethylene-delta4-tetrahydrophthalimide, 3,6-Endomethylene-4-cyclohexene-1,2-dicarboximide, 3,6-Endomethylenephthalimide, 1,2,3,4-tetrahydro-

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GPIUUMROPXDNRH-UHFFFAOYSA-N

• 5-Hydroxy-4-methyl-2(5H)furanone
IUPAC Name: 2-hydroxy-3-methyl-2H-furan-5-one | CAS Registry Number: 40834-42-2
Synonyms: 5-Hydroxy-4-methyl-2(5H)-furanone, CID115301, 4-Methyl-5-hydroxy-2(5H)-furanone, 2(5H)-Furanone, 5-hydroxy-4-methyl-

Molecular Formula: C5H6O3Molecular Weight: 114.099340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XRNPHZPFAWLRNJ-UHFFFAOYSA-N

• 8-Chloro-10,11-dihydro-4-aza-5H-dibenzo-(a,d)cycloheptan-5-one
IUPAC Name: 8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one | CAS Registry Number: 31251-41-9
Synonyms: 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cycloheptan-5-one, 8-Chloro-10,11-dihydro-4-aza-5H-benzo[A,D] cycloheptan-5-one, 8-Chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-one, 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one, PubChem2463, SureCN3839936, BEN024, CTK6H2015, MolPort-003-845-799, ANW-58726, ZINC02569976, AKOS005067771, AG-C-31776, AG-F-03682, AC-15890, AK-72504, TL8006452, WT-130554, FT-0638960

Molecular Formula: C14H10ClNOMolecular Weight: 243.688300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WMQNOYVVLMIZDV-UHFFFAOYSA-N

• 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
IUPAC Name: 5H-benzo[b][1,4]benzothiazepin-6-one | CAS Registry Number: 3159-07-7
Synonyms: Dibenzo[b,f][1,4]thiazepinone, Dibenzo[b,f][1,4]thiazepin-11(10H)-one, NSC653252, GNF-Pf-769, ST092299, 10H-Dibenzo[b,f][1,4]thiazepin-11-one, 2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one, 34234-44-1, zlchem 366, PubChem15674, SureCN8988, Dibenzo[b,4]thiazepinone, ACMC-2097cx, AC1L89IS, AC1Q6E3B, AC1Q6GS5, KSC222E4P, MLS000698398, CHEMBL598054, CTK1C2247

Molecular Formula: C13H9NOSMolecular Weight: 227.281660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RTERDTBXBYNZIS-UHFFFAOYSA-N

• 8-Carboxy-3-methylflavone
IUPAC Name: 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid | CAS Registry Number: 3468-01-7
Synonyms: Enamine_005545, 3-Methylflavone-8-carboxylic acid, 3-Methylflavone-8-carboxaldehyde, EINECS 222-425-2, SBB001131, TL8002580, 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-

Molecular Formula: C17H12O4Molecular Weight: 280.274780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KMMBBZOSQNLLMN-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: C4H10O2S2Molecular Weight: 154.251000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VHJLVAABSRFDPM-QWWZWVQMSA-N

• 1-(4-Chlorophenyl)cyclobutanecarbonitrile
IUPAC Name: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile | CAS Registry Number: 28049-61-8
Synonyms: 160008_ALDRICH, NSC154613, CID98621, EINECS 248-799-7, ZINC00388379, ST5405608, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

Molecular Formula: C11H10ClNMolecular Weight: 191.656800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XQONXPWVIZZJIL-UHFFFAOYSA-N

• 7-Nitro-4-Hydroxyquinonazoline
IUPAC Name: 7-nitro-1H-quinazolin-4-one | CAS Registry Number: 20872-93-9
Synonyms: 4-hydroxy-7-nitro-quinazoline, NSC338201, CID334011, ZINC04552221, ST5430011, AF-956/20094050

Molecular Formula: C8H5N3O3Molecular Weight: 191.143600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LPCJURLBTXOJHS-UHFFFAOYSA-N

• 5,6-Dimethoxy-1-Indanone
IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one | CAS Registry Number: 2107-69-9
Synonyms: 5,6-Dimethoxy-1-indanone, 5,6-Dimethoxyindan-1-one, 147826_ALDRICH, NSC401450, CID75018, EINECS 218-287-8, ZINC00164394, NSC 401450, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-, ST5308464, TL8001751, InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N

• 1,3-Bis(4-aminophenoxy)benzene
IUPAC Name: 4-[3-(4-aminophenoxy)phenoxy]aniline | CAS Registry Number: 2479-46-1
Synonyms: RODA, Resorcinol oxydianiline, Maybridge3_000438, ChemDiv2_000189, CCRIS 6684, Oprea1_569946, CBDivE_002807, MLS000719868, 4,4'-(m-Phenylenedioxy)dianiline, 476323_ALDRICH, AIDS185674, 1,3-Phenylene-di-4-aminophenyl ether, 1,3-Phenylenedi(4-aminophenyl ether), AIDS-185674, BRN 0423316, ANILINE, p,p'-(m-PHENYLENEDIOXY)DI-, ZINC00135553, 4,4'-(1,3-Phenylenedioxy)dianiline, 4-[3-(4-aminophenoxy)phenoxy]aniline, IDI1_011825

Molecular Formula: C18H16N2O2Molecular Weight: 292.331840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WUPRYUDHUFLKFL-UHFFFAOYSA-N

• 2-Phenylacetoacetonitrile
IUPAC Name: 3-oxo-2-phenylbutanenitrile | CAS Registry Number: 4468-48-8
Synonyms: Acetonitrile, phenylaceto, Phenylacetoacetonitrile, USAF PE-1, Phenyl aceto-acetonitrile, alpha-Acetylphenylacetonitrile, Acetoacetonitrile, 2-phenyl-, alpha-Phenylacetoacetonitrile, 1-Cyano-1-phenyl-2-propanone, alpha-Aceto-alpha-cyanotoluene, alpha-Acetylbenzeneacetonitrile, WLN: NCYR&V1, 3-Oxo-2-phenylbutanenitrile, Acetoacetonitrile, alpha-phenyl-, 3-oxo-2-phenyl-butanenitrile, alpha-Tolunitrile, alpha-acetyl-, .alpha.-Phenylacetoacetonitrile, Benzeneacetonitrile, alpha-acetyl-, 190659_ALDRICH, EINECS 224-737-4, ZERO/001697

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KHNWFTMUBKJWRZ-UHFFFAOYSA-N

• 2-Dimethylaminoisopropyl Chloride Hydrochloride
IUPAC Name: 2-chloro-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 4584-49-0
Synonyms: D142409_ALDRICH, NSC 5367, 24367_FLUKA, EINECS 224-971-7, NSC5367, NSC 53532, 2-Chloropropyl-dimethylamine hydrochloride, 2-Chloropropyldimethylammonium chloride, NSC53532, WLN: GY1&1N1&1 &GH, 2-(Dimethylamino)isopropyl chloride hydrochloride, (2-Chloropropyl)dimethylamine monohydrochloride, AI3-26684, LS-1272, N,N-Dimethyl-2-chloropropylamine hydrochloride, 1-(Dimethylamino)-2-chloropropane hydrochloride, 2-Chloro-N',N'-dimethylaminopropane hydrochloride, (2-Chloropropyl)dimethylamine hydrochloride, 1-Methyl-2-dimethylaminoethyl chloride hydrochloride, 1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride

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

InChIKey: OCWGRWAYARCRTQ-UHFFFAOYSA-N

• 4-Bromomethyl-1,2-dihydroquinolin-2-one
IUPAC Name: 4-(bromomethyl)-1H-quinolin-2-one | CAS Registry Number: 4876-10-2
Synonyms: NSC108455, ZINC01700618, 2-HYDROXY-4-BROMO METHYL QUINOLINE, ST5431943

Molecular Formula: C10H8BrNOMolecular Weight: 238.080620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BBAHJCUCNVVEQU-UHFFFAOYSA-N

• 4-(2,3-Epoxypropoxy)carbazole
IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula: C15H13NO2Molecular Weight: 239.269220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 4-Aminocinnamic acid ethyl ester
IUPAC Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate | CAS Registry Number: 5048-82-8
Synonyms: Ethyl 4-aminocinnamate, Ethyl p-aminocinnamate, Ambap7714, 576654_ALDRICH, Cinnamic acid, p-amino-, ethyl ester, NSC44439, EINECS 225-747-1, CID736317, NSC 44439, ZINC00157063, TL8003348, D1356, 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-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: C5H9ClO3Molecular Weight: 152.576160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N

• 3-Piperazinobenzisothiazole
IUPAC Name: 3-piperazin-1-yl-1,2-benzothiazole;hydrochloride | CAS Registry Number: 144010-02-6
Synonyms: 3-Piperazinobenzisothiazole hydrochloride, 87691-88-1, 3-Piperazinyl-1,2-Benzisothiazole Hydrochloride, CHEMBL1204336, 1,2-Benzisothiazole,3-(1-piperazinyl),hydrochloride, 3-(Piperazin-1-yl)benzo[d]isothiazole hydrochloride, 3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride, 3-(1-piperazinyl)-1,2-Benzisothiazole hydrochloride, AGN-PC-00ASXZ, SureCN1737330, UNII-OSY1987N5V, MLS000718830, Ziprasidone related compound A, Jsp002576, CTK7D1714, MolPort-000-002-436, ACN-S003747, ACT02169, ANW-51377, AKOS015849232

Molecular Formula: C11H14ClN3SMolecular Weight: 255.766960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DOQLJTKEUIJSKK-UHFFFAOYSA-N

• 5-Methylsulfonaminoindole-2-carboxylic Acid
IUPAC Name: 5-(methanesulfonamido)-1H-indole-2-carboxylic acid | CAS Registry Number: 150975-95-4
Synonyms: CID60948, 5-METHANESULFONAMIDOINDOLE-2-CARBOXYLIC ACID

Molecular Formula: C10H10N2O4SMolecular Weight: 254.262400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: AHXMYKDPQPQFMW-UHFFFAOYSA-N


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