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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• 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: C7H11N3Molecular Weight: 137.182340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YKVWHWNSINXNPF-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

• 3-Amino-4-chlorobenzoic Acid 2-Dodecyloxy-1-methyl-2-oxoehylester
IUPAC Name: (1-dodecoxy-1-oxopropan-2-yl) 3-amino-4-chlorobenzoate | CAS Registry Number: 63966-96-1
Synonyms: 3-Amino-4-chlorobenzoic acid 2-dodecyloxy-1-methyl-2-oxoethyl ester, SureCN6161842, BEN138, CTK5C0314, AKOS015915273, AG-G-38908, AC-19526, KB-180619, ST51055398, A834592, I14-6332, 3-amino-4-chlorobenzoic acid (1-dodecoxy-1-oxopropan-2-yl) ester, (1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-azanyl-4-chloranyl-benzoate, 3-Amino-4-chlorobenzoic acid 2-dodecyloxy-1-methyl-2-oxoethyl ester;, Benzoic acid,3-amino-4-chloro-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester, Benzoic acid, 3-amino-4-chloro-2-(dodecycloxy)-1-methyl-2-oxo-, ethyl ester

Molecular Formula: C22H34ClNO4Molecular Weight: 411.962660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KVBTUIKKMVJZEF-UHFFFAOYSA-N

• 2-Amino-6-Methyl-5-Nitro-4(3H)-Pyrimidinone
IUPAC Name: 2-amino-6-methyl-5-nitro-1H-pyrimidin-4-one | CAS Registry Number: 4214-85-1
Synonyms: AmbagaB89490, AmbagaB158116, NSC73576, MolPort-000-000-507, CID252219, ZINC17328380, EN000146, 2-Amino-6-methyl-5-nitro-4(3H)-pyrimidinone, M6315, 2-Amino-6-methyl-5-nitro-3H-pyrimidin-4-one, 2-amino-6-methyl-5-nitropyrimidin-4(3H)-one, A44137, 2-Amino-6-methyl-5-nitropyrimidine-4(3H)-one, I03-0328

Molecular Formula: C5H6N4O3Molecular Weight: 170.126140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PFTYCGMGNJVFIX-UHFFFAOYSA-N

• 3-Hydroxypyridine-4-carboxylic acid methyl ester
IUPAC Name: methyl 3-hydroxypyridine-4-carboxylate | CAS Registry Number: 10128-72-0
Synonyms: Methyl 3-hydroxyisonicotinate, AG-D-07854, methyl 3-hydroxypyridine-4-carboxylate, 3-HYDROXYPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER, 4-Pyridinecarboxylicacid, 3-hydroxy-, methyl ester, methylhydroxyisonicotinate, SureCN3028074, KSC499M7B, PYR105, CTK3J9670, methyl 3-hydroxyisonicotinic acid, MolPort-000-004-992, WT643, ACT02432, ANW-47078, CL0150, SBB086891, ZINC08729725, AKOS005070472, MCULE-3539214855

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OJRUFSZEJPZKQV-UHFFFAOYSA-N

• 4-ETHYLAMINO-1-BUTANOL
IUPAC Name: 4-(ethylamino)butan-1-ol | CAS Registry Number: 39216-86-9
Synonyms: 4-Ethylamino-1-butanol, 4-(ethylamino)butan-1-ol, SBB052126, N-Ethylbutanolamine, 4-ethylaminobutan-1-ol, ACMC-1AGB2, AC1LC2X7, AC1Q31LQ, 1-Butanol,4-(ethylamino)-, CTK4I1118, PVNNOLUAMRODAC-UHFFFAOYSA-, MolPort-001-791-845, ANW-29035, AKOS009157693, AG-F-38495, E0473, I14-100263, 4-(Ethylamino)butanol;Ethyl(4-hydroxybutyl)amine; Ethylbutanolamine, InChI=1/C6H15NO/c1-2-7-5-3-4-6-8/h7-8H,2-6H2,1H3

Molecular Formula: C6H15NOMolecular Weight: 117.189400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PVNNOLUAMRODAC-UHFFFAOYSA-N

• 3,5-Bis(cyanomethyl)toluene
IUPAC Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile | CAS Registry Number: 120511-74-2
Synonyms: 5-Methyl-1,3-benzenediacetonitrile, 3,5-bis-(Cyanomethyl)toluene, 1,3-Benzenedicarbonitrile,2,5-dimethyl-, [3-(cyanomethyl)-5-methylphenyl]acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile, 107170-81-0, PubChem19672, ACMC-20ah11, SureCN2262582, BEN019, CTK4A5037, 5-Methyl-1,3-diacetonitrilbezene, MolPort-003-848-738, 5-Methylbenzene-1,3-diacetonitrile, ANW-72995, SBB068769, ZINC21297549, 1,3-Benzenediacetonitrile, 5-methyl-, AKOS006285190, AC-6805

Molecular Formula: C11H10N2Molecular Weight: 170.210500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJCXEUYJQHPEAE-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

• 4-Benzothiazolol
IUPAC Name: 1,3-benzothiazol-4-ol | CAS Registry Number: 7405-23-4
Synonyms: 4-Hydroxybenzothiazole, NSC403244, NSC 403244

Molecular Formula: C7H5NOSMolecular Weight: 151.185700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NZFKDDMHHUEVPI-UHFFFAOYSA-N

• 5-fluoroquinolin-8-amine
IUPAC Name: 5-fluoroquinolin-8-amine | CAS Registry Number: 161038-18-2
Synonyms: 5-Fluoro-8-quinolinamine, 8-quinolinamine, 5-fluoro-, SureCN11900676, QUI034, MolPort-004-782-500, ANW-66716, SBB070094, ZINC39088977, AKOS006331805, QC-4155, RP22511, AK-27335, KB-197676, FT-0649762, A22980, I08-0125

Molecular Formula: C9H7FN2Molecular Weight: 162.163683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QDWQDAXFVALXGP-UHFFFAOYSA-N

• [(Diphenylmethyl)thio]acetamide
IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula: C15H15NOSMolecular Weight: 257.350700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• 4-Chloro-6,7-dimethoxyquinazoline
IUPAC Name: 4-chloro-6,7-dimethoxyquinazoline | CAS Registry Number: 13790-39-1
Synonyms: 4-Chloro-6,7-dimethoxy-quinazoline, AG-D-76903, Quinazoline, 4-chloro-6,7-dimethoxy-, F2113-0651, zlchem 87, ZINC02574919, PubChem9672, AC1MCGWT, ACMC-1BRD3, AC1Q470M, QUI040, Jsp002282, CTK4C1024, ZLB0075, MolPort-000-002-807, 4-Cholro-6,7-dimethoxyquinazoline, ACN-S003137, ACT01921, ANW-20362, SBB078276

Molecular Formula: C10H9ClN2O2Molecular Weight: 224.643660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LLLHRNQLGUOJHP-UHFFFAOYSA-N

• 2-Methyl-2H-indazole-3-carboxylic acid
IUPAC Name: 2-methylindazole-3-carboxylic acid | CAS Registry Number: 34252-44-3
Synonyms: 2-methylindazole-3-carboxylic Acid, 2H-Indazole-3-carboxylic acid, 2-methyl-, AC1OEOWM, SureCN1563562, IND008, MolPort-000-143-290, ANW-60854, SBB089157, AKOS006346248, AG-L-63511, CC44401, PB12449, RP02987, AK-79271, BL000192, KB-25231, FT-0671861, Y5387

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ABRISPFTOZIXMP-UHFFFAOYSA-N

• 1-(7H-purin-6-yl)methanamine
IUPAC Name: 7H-purin-6-ylmethanamine | CAS Registry Number: 98141-15-2
Synonyms: EN001290

Molecular Formula: C6H7N5Molecular Weight: 149.153280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FELHYNZKVDMRSU-UHFFFAOYSA-N

• (-)-Epicatechin gallate
IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 1257-08-5
Synonyms: L-Epicatechin gallate, Epicatechol, gallate, (-)-Epicatechin-3-gallate, Spectrum_000314, SpecPlus_000275, (-)-Epicatechin-3-O-gallate, Spectrum2_000165, Spectrum3_000246, Spectrum4_001540, Spectrum5_000080, Epicatechol, gallate (6CI), BSPBio_001632, KBioGR_001980, KBioSS_000794, SPECTRUM210238, DivK1c_006371, SPBio_000029, E3893_SIAL, MEGxp0_000810, Epicatechol, 3-gallate, (-)-

Molecular Formula: C22H18O10Molecular Weight: 442.372320 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-N

• 1H-Pyrrolo[3,2-b]pyridin-5-amine
IUPAC Name: 1H-pyrrolo[3,2-b]pyridin-5-amine | CAS Registry Number: 207849-66-9
Synonyms: 1H-pyrrolo[3,2-b]pyridin-5-amine, 5-amino-4-azaindole, 5-Aminopyrrolo[3,2-b]pyridine, 1h-pyrrolo[3,2-b]pyridin-5-ylamine, 5-Amine-1H-Pyrrolo[3,2-b]pyridin, ACMC-1CFOW, SureCN7007696, PYR022, CTK0J9645, MolPort-004-756-796, ACT04889, ANW-48218, SBB069873, ZINC18617164, AKOS006327964, AB52502, AG-C-78538, AG-E-52581, QC-9172, RP20068

Molecular Formula: C7H7N3Molecular Weight: 133.150580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NOEYQOAKBMZXFX-UHFFFAOYSA-N

• 1-[2-Amino-1-(4-Methoxy Phenyl)Ethyl]Cyclohexanol Hydrochloride
IUPAC Name: 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride | CAS Registry Number: 130198-05-9
Synonyms: 1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride, 1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hydrochloride, 1-[2-Amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol.HCl, 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride, 1-(2-Amino-1-(4-methoxyphenyl)ethyl) cyclohexanol hydrochloride, PubChem14024, UNII-O00PWS7DPA, ACMC-20a6u7, SureCN3325847, KSC498E2B, Jsp001833, CTK3J8220, MolPort-003-987-460, ANW-59789, AKOS015888208, AC-7776, AG-A-17018, N,N-Didesmethylvenlafaxine hydrochloride, AK-36913, KB-63806

Molecular Formula: C15H24ClNO2Molecular Weight: 285.809560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: NTKXIDDUCSFBBF-UHFFFAOYSA-N

• 2-Amino-4-Methyl-3-Nitro Pyridine
IUPAC Name: 1-[6-(4-methoxy-3-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one | CAS Registry Number: 6635-86-5
Synonyms: Oprea1_191768, CID5494474, EU-0046576, AN-655/15260140, methyl 2-methyl-4-[3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl ether

Molecular Formula: C22H22N4O3SMolecular Weight: 422.500080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WRHSLNWEGPMRHM-UHFFFAOYSA-N

• 5-Androsten-3-beta-ol-7,17-dione acetate
IUPAC Name: (10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate | CAS Registry Number: 1449-61-2
Synonyms: NSC134911, 7,17-Dioxoandrost-5-en-3-yl acetate, Androst-5-en-3-ol-7,17-dione acetate

Molecular Formula: C21H28O4Molecular Weight: 344.444620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VVSMJVQHDZUPIL-UHFFFAOYSA-N

• 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
IUPAC Name: 5-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione | CAS Registry Number: 66504-87-8
Synonyms: MolPort-005-941-792, EN001272

Molecular Formula: C12H11NO2Molecular Weight: 201.221240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XTYDBYBSBXUPEO-UHFFFAOYSA-N

• 1,2,4-Triaminobenzene dihydrochloride
IUPAC Name: benzene-1,2,4-triamine | CAS Registry Number: 615-47-4
Synonyms: 1,2,4-Benzenetriamine, 1,2,4-Triaminobenzene, 1,3,4-Benzenetriamine, 1,3,4-Triaminobenzene, Benzene-1,2,4-triyltriamine, benzene-1,2,4-triamine, CHEBI:29148, EINECS 210-443-3, ZERO/008134, NSC4739, NSC 190394, CID69206, BRN 0636836, NSC190394, ZINC00053658, LS-32201, 4-13-00-00506 (Beilstein Handbook Reference), 615-71-4

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JSYBAZQQYCNZJE-UHFFFAOYSA-N

• 4-OXO-PYRIMIDIN-2-YL)-N,N-DIMETHYL-
IUPAC Name: N,N-dimethyl-N'-(6-methyl-5-nitro-4-oxo-1H-pyrimidin-2-yl)methanimidamide | CAS Registry Number: 151587-54-1
Synonyms: MET004, FT-0667291, Methanimidamide, N'-(1,4-dihydro-6-methyl-5-nitro-4-oxo-2-pyrimidinyl)-N,N-dimethyl-

Molecular Formula: C8H11N5O3Molecular Weight: 225.204640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JHNLMNSDAFLKIB-RUDMXATFSA-N

• 4-Nitrophthalamide
IUPAC Name: 4-nitrobenzene-1,2-dicarboxamide | CAS Registry Number: 13138-53-9
Synonyms: 4-Nitrophthaldiamide, Maybridge1_003271, NCIOpen2_006090, 330426_ALDRICH, 1,2-Benzenedicarboxamide, 4-nitro-, NSC94821, EINECS 236-070-6, NSC 94821, ZINC00056712, ST5319938, SR-01000643795-1

Molecular Formula: C8H7N3O4Molecular Weight: 209.158880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XWCDSCYRIROFIO-UHFFFAOYSA-N

• 2,4-Dihydroxy-6,7-Dimethoxyquinazoline
IUPAC Name: 6,7-dimethoxy-1H-quinazoline-2,4-dione | CAS Registry Number: 28888-44-0
Synonyms: Oprea1_517280, 329258_ALDRICH, 6,7-Dimethoxyquinazoline-2,4-dione, BB_NC-0679, EINECS 249-288-1, 6,7-Dimethoxy-2,4-quinazolinedione, CID120081, ZINC00120622, NCGC00160264-01, 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione, ST5307686, TL8002279, 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

Molecular Formula: C10H10N2O4Molecular Weight: 222.197400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-N

• 3,5-Bis(benzyloxy)benzyl bromide
IUPAC Name: 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene | CAS Registry Number: 24131-32-6
Synonyms: 3,5-Dibenzyloxybenzyl Bromide, 3,5-Bis(benzyloxy)benzyl Bromide, 3,5-Dibenzyloxy-alpha-bromotoluene, 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene, ZINC01529104, PubChem15063, AC1MC3ZQ, Ambpe2003894, SureCN4825449, ACMC-209g95, CTK4F2981, MolPort-000-159-534, ANW-25335, AKOS015839495, AG-E-71246, KB-84071, 1,3-bis(benzyloxy)-5-(bromomethyl)benzene, B2093, FT-0638398, A817112

Molecular Formula: C21H19BrO2Molecular Weight: 383.278360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGMYJGAUAQXYFQ-UHFFFAOYSA-N

• 4-Biphenylacetic Acid (CAS: 572-52-9)
• 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(bromomethyl)-5-methylbenzene
IUPAC Name: 1,3-bis(bromomethyl)-5-methylbenzene | CAS Registry Number: 19294-04-3
Synonyms: 3,5-Bis(bromomethyl)toluene, NSC243652, CID316162, ST5409004, TL8001581

Molecular Formula: C9H10Br2Molecular Weight: 277.983700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AKDWRXXKHRUFMS-UHFFFAOYSA-N

• 1-Benzyl-5-ethoxy-2,4-imidazolinedione
IUPAC Name: (5R)-5-ethoxy-1-(phenylmethyl)imidazolidine-2,4-dione | CAS Registry Number: 65855-02-9
Synonyms: ZINC00367637, 2,4-Imidazolidinedione, 5-ethoxy-1-(phenylmethyl)-

Molecular Formula: C12H14N2O3Molecular Weight: 234.251160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FUQZCDCFSMSNBP-LLVKDONJSA-N

• 5-Amino-6-chloro-2-methyl-4(1H)-pyrimidinone
IUPAC Name: 5-amino-6-chloro-2-methyl-1H-pyrimidin-4-one | CAS Registry Number: 98025-13-9
Synonyms: 5-AMINO-6-CHLORO-2-METHYL-4(1H)-PYRIMIDINONE, PYR088, CTK3I6496, AKOS015892517, AG-H-98630, KB-196692, 4(1H)-Pyrimidinone, 5-amino-6-chloro-2-methyl-, I03-0343

Molecular Formula: C5H6ClN3OMolecular Weight: 159.573640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ABJJAKRTVUXAEX-UHFFFAOYSA-N

• 2'-Hydroxy-4'-Methoxyacetophenone
IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone | CAS Registry Number: 552-41-0
Synonyms: PAEONOL, Peonol, Paeonal, 4-O-Methylresacetophenone, 2'-Hydroxy-4'-methoxyacetophenone, Resacetophenone-4-methyl ether, Spectrum2_001981, Spectrum3_001686, 2-Acetyl-5-methoxy-phenol, 2-Hydroxy-4-methoxyacetophenone, CBiol_000986, BSPBio_003212, H35803_ALDRICH, SPECTRUM1601021, SPBio_002161, Resacetophenone, 4-O-methyl ester, Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-, 1-(2-Hydroxy-4-methoxyphenyl)ethanone, Acetophenone, 2'-hydroxy-4'-methoxy-, EINECS 209-012-2

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UILPJVPSNHJFIK-UHFFFAOYSA-N

• 2,3-Dihydroxypyridine
IUPAC Name: 3-hydroxy-1H-pyridin-2-one | CAS Registry Number: 84719-32-4
Synonyms: 2,3-DIHYDROXYPYRIDINE, 2,3-Pyridinediol, Pyridine-2,3-diol, 16867-04-2, 2(1H)-Pyridinone, 3-hydroxy-, 2(1H)-Pyridone, 3-hydroxy-, 3-Hydroxy-2-pyridone, 3-hydroxypyridin-2(1H)-one, 3-Hydroxy-1H-pyridin-2-one, 3-Hydroxy-2(1H)-pyridinone, CHEMBL287899, NSC49272, EINECS 240-887-3, NSC 49272, AI3-61776, 119764-03-3, 3-oxidanyl-1H-pyridin-2-one, 13466-42-7, zlchem 302, PubChem2580

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GGOZGYRTNQBSSA-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

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula: C4H6N4OSMolecular Weight: 158.181640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine
IUPAC Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1672-48-6
Synonyms: 6-Amino-5-nitroso-2-thiouracil, NSC229540, AIDS040680, AIDS-040680, EINECS 216-807-8, EINECS 226-680-0, ZINC04261925, ST5307081, 6-Amino-2-mercapto-5-nitroso-4-pyrimidinol ammoniate, Pyrimidene, 2-thiol, 4-amino, 5-nitroso, 6-hydroxy, 6-Amino-2,3-dihydro-5-nitroso-2-thioxopyrimidin-4(1H)-one, monoammonium salt, 5451-33-2

Molecular Formula: C4H4N4O2SMolecular Weight: 172.165160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UOWCFGBLAMCSFY-UHFFFAOYSA-N

• 2-1H-PYRIDINONE,5,6-DIHYDRO-4-(2-METHYL-2-PHENYLHYDRAZINYL)-
IUPAC Name: 4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydro-1H-pyridin-6-one | CAS Registry Number: 139122-76-2
Synonyms: 4-(2-Methyl-2-phenylhydrazinyl)-5,6-dihydropyridin-2(1H)-one, SureCN8562544, PYR027, CTK8C4450, MolPort-005-938-612, ANW-71992, SBB068329, ZINC21992981, AKOS015912398, AK-58986, KB-237650, I14-6136, I14-35655, 2(1H)-Pyridinone, 5,6-dihydro-4-(2-methyl-2-phenylhydrazino)-, 5,6-Dihydro-4-(2-methyl-2-phenylhydrazino)-2(1-H)-pyridinone, 2(1H)-Pyridinone, 5,6-dihydro-4-(2-methyl-2-phenylhydrazino) pound-

Molecular Formula: C12H15N3OMolecular Weight: 217.267000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AHRRHWGQOOPSSZ-UHFFFAOYSA-N

• 1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid hydrobromide
IUPAC Name: 1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrobromide | CAS Registry Number: 75776-79-3
Synonyms: AG-H-02101, MolPort-020-001-036, SBB067166, AKOS015904443, I111, A838506, I14-1714, 1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid HBr, 6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid hydrobromide

Molecular Formula: C7H12BrNO2S2Molecular Weight: 286.209680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DXALUCGGSBGKIY-UHFFFAOYSA-N

• (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
IUPAC Name: (6S,8S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid | CAS Registry Number: 80473-92-3
Synonyms: AND009, Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-,(6|A,11|A,16|A,17|A)-

Molecular Formula: C21H26F2O4SMolecular Weight: 412.490546 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GLAJUXBOZSWZMM-YTPOTJLPSA-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

• 4-Hydroxyquinoline
IUPAC Name: 1H-quinolin-4-one | CAS Registry Number: 611-36-9
Synonyms: 4-Quinolinol, Quinolin-4-ol, Kynurine, 4-Chinolinol, Quinoline, 4-hydroxy-, Fragment 18, quinolin-4(1H)-one, 4(1H)-Quinolinone, CCRIS 4329, Oprea1_521432, 4-Quinolinol (8CI,9CI), H58005_ALDRICH, NSC 3183, CHEBI:15815, EINECS 210-268-2, NSC3183, AIDS020542, KUC100207N, AIDS-020542, BRN 1524969

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PMZDQRJGMBOQBF-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

• 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

• 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: C13H16O3Molecular Weight: 220.264340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DOQWHEUDAHLEPT-UHFFFAOYSA-N

• 2-Hydroxy-4-methyl-3-nitropyridine
IUPAC Name: 4-methyl-3-nitro-1H-pyridin-2-one | CAS Registry Number: 21901-18-8
Synonyms: 4-Methyl-3-nitro-2-pyridone, 2-Hydroxy-3-nitro-4-picoline, 290114_ALDRICH, NSC402986, CID345370, ZINC00155253, TL8001754

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HZCWTTHQRMHIIE-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: C20H22N4O4S3Molecular Weight: 478.608080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: RCZJVHXVCSKDKB-UHFFFAOYSA-N

• 1(2H)-NAPHTHALENONE,4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-,OXIME,(?)
IUPAC Name: (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine | CAS Registry Number: 124345-14-8
Synonyms: AC1O3J5P, 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone oxime, NAP002, MolPort-002-870-058, AKOS005093435, 4W-0253, 4-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one Oxime, (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine, 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-, oxime, ( inverted exclamation markA-)

Molecular Formula: C16H13Cl2NOMolecular Weight: 306.186520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CGIUOCJZIYTDRG-KNTRCKAVSA-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

• 2-aminopyrrolidine hydrochloride
IUPAC Name: 3,4-dihydro-2H-pyrrol-5-amine;hydrochloride | CAS Registry Number: 7544-75-4
Synonyms: 3,4-Dihydro-2H-pyrrol-5-amine hydrochloride, pyrrolidin-2-imine hydrochloride, 2-AMINO-1-PYRROLINE HYDROCHLORIDE, AC1Q3CKF, SureCN990656, SureCN2831274, CHEMBL543888, CTK7D1289, CTK8B5017, MolPort-002-317-283, MolPort-005-310-923, Pyrrolidin-(2E)-ylideneamine HCl, ANW-47045, AKOS006223432, AG-B-45911, MCULE-6089369366, AK-81762, KB-19603, 3,4-DIHYDRO-2H-PYRROL-5-AMINE HCL, FT-0689912

Molecular Formula: C4H9ClN2Molecular Weight: 120.580660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JEBHLIYFPKISBI-UHFFFAOYSA-N

• 3-Nitro Cinnamic Acid
IUPAC Name: (Z)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 555-68-0
Synonyms: m-Nitrocinnamic acid, Cinnamic acid, m-nitro, Cinnamic acid, m-nitro-, NSC5408, 2-Propenoic acid, 3-(3-nitrophenyl)-

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-PLNGDYQASA-N

• 3,4-Dichlorocinnamic acid
IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid | CAS Registry Number: 1202-39-7
Synonyms: 3,4-DICHLOROCINNAMIC ACID, 3',4'-Dichlorocinnamic acid, Cinnamic acid, 3,4-dichloro-, 144703_ALDRICH, EINECS 214-866-4, 2-Propenoic acid, 3-(3,4-dichlorophenyl)-, NSC 518800, BRN 1872129, NSC518800, SBB015056, 3-(3,4-Dichlorophenyl)-2-propenoic acid, Cinnamic acid, 3,4-dichloro- (8CI), LS-123619, InChI=1/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2

Molecular Formula: C9H6Cl2O2Molecular Weight: 217.048740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RRLUFPHCTSFKNR-DUXPYHPUSA-N


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