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Search results for: '50396-87-7'
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1-Naphthylacetic acid
Formula: C12H10O2Molecular weight: 186.21Synonyms: 1-Naphthylacetic acid|86-87-3|1-NAPHTHALENEACETIC ACID|2-(Naphthalen-1-Yl)Acetic Acid|Naphthalene-1-...SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)OInChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-NInChI: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
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4-methylpyrimidine-2-carboxylic acid
Cas Number: 933738-87-5Formula: C6H6N2O2Molecular weight: 138.126Synonyms: 4-Methylpyrimidine-2-carboxylic acid|933738-87-5|4-Methyl-pyrimidine-2-carboxylic acid|4-METHYL-2-PY...SMILES: CC1=NC(=NC=C1)C(=O)OInChIKey: WBSSDROYPVWGTA-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O2/c1-4-2-3-7-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
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(3R,5S)-1-benzyl-5-methyl-piperidin-3-ol
Cas Number: 1601475-87-9Formula: C13H19NOMolecular weight: 205.3Synonyms: (3R,5S)-1-benzyl-5-methyl-piperidin-3-ol | 1601475-87-9 | SCHEMBL21419731 | (3R,5S)-1-benzyl-5-methy...SMILES: CC1CC(CN(C1)CC2=CC=CC=C2)OInChIKey: ADFBVTAJGJLTTL-WCQYABFASA-NInChI: InChI=1S/C13H19NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m0/s1
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N-(1-Pyrene)iodoacetamide
Cas Number: 76936-87-3Formula: C18H12INOMolecular weight: 385.198Synonyms: 76936-87-3|2-Iodo-N-(pyren-1-yl)acetamide|N-(1-pyrenyl)iodoacetamide|N-(1-Pyrene)iodoacetamide|2-iod...SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC(=O)CIInChIKey: CVEFIQVNOAJGDW-UHFFFAOYSA-NInChI: InChI=1S/C18H12INO/c19-10-16(21)20-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)18(13)17(11)12/h1-9H,10H2,(H,20,21)
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2-Bromotriphenylene
Cas Number: 19111-87-6Formula: C18H11BrMolecular weight: 307.19Synonyms: 2-BROMOTRIPHENYLENE|19111-87-6|2-Bromobenzo[9,10]phenanthrene|Triphenylene, 2-bromo-|2-Bromo-triphen...SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C4=CC=CC=C24InChIKey: GEDOYYDMCZUHNW-UHFFFAOYSA-NInChI: InChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
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(5-chlorothiophen-3-yl)methanol
Cas Number: 73919-87-6Formula: C5H5ClOSMolecular weight: 148.6Synonyms: (5-CHLOROTHIOPHEN-3-YL)METHANOL|73919-87-6|5-CHLOROTHIOPHENE-3-METHANOL|3-Thiophenemethanol, 5-chlor...SMILES: C1=C(SC=C1CO)ClInChIKey: RJCDMSXITBOXRL-UHFFFAOYSA-NInChI: InChI=1S/C5H5ClOS/c6-5-1-4(2-7)3-8-5/h1,3,7H,2H2
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2,4-Bis(trifluoromethyl)benzoicacid
Cas Number: 32890-87-2Formula: (CF3)2C6H3CO2HMolecular weight: 258.12Synonyms: 2,4-Bis(trifluoromethyl)benzoic acid|32890-87-2|MFCD00042496|2,4-bis-trifluoromethylbenzoic acid|2,4...SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OInChIKey: JTOIZLCQNWWDCN-UHFFFAOYSA-NInChI: InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H,16,17)
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(1R,3S)-3-aminocyclohexane-1-carboxylic acid hydrochloride
Cas Number: 2635331-87-0 EC Number: 815-854-7Synonyms: (1R,3S)-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID HYDROCHLORIDE | MFCD28166349 | cis-3-Aminocyclohexane-1...SMILES: C1CC(CC(C1)N)C(=O)O.ClInChIKey: BOUHXQPJYJANEO-IBTYICNHSA-NInChI: InChI=1S/C7H13NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
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1-Cyclohexene-1-acetic acid
Cas Number: 18294-87-6Formula: C8H12O2Molecular weight: 140.18Synonyms: 1-Cyclohexenylacetic acid|18294-87-6|1-Cyclohexene-1-acetic acid|2-(cyclohex-1-en-1-yl)acetic acid|2...SMILES: C1CCC(=CC1)CC(=O)OInChIKey: KDFBPHXESBPHTK-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,9,10)
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trans-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methyl-piperidin-4-ol
Cas Number: 1612176-87-0Formula: C10H15N4OFMolecular weight: 226.25Synonyms: trans-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methyl-piperidin-4-ol | 1612176-87-0 | SCHEMBL23593447 | ...SMILES: CC1(CN(CCC1O)C2=NC=CC(=N2)N)FInChIKey: VOQUXWJRSPKSKC-GMSGAONNSA-NInChI: InChI=1S/C10H15FN4O/c1-10(11)6-15(5-3-7(10)16)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10-/m1/s1
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5-methoxy-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
Cas Number: 1554047-87-8Formula: C9H8N2O3Molecular weight: 192.17Synonyms: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid | 1554047-87-8 | MFCD26045280 | PB40858 | BS-4...SMILES: COC1=NC=C2C(=C1)C(=CN2)C(=O)OInChIKey: RKRYEIVZBIPUFN-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O3/c1-14-8-2-5-6(9(12)13)3-10-7(5)4-11-8/h2-4,10H,1H3,(H,12,13)
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Amisulbrom
Cas Number: 348635-87-0Formula: C13H13BrFN5O4S2Molecular weight: 466.31Synonyms: Amisulbrom|348635-87-0|Amisulbrom [ISO]|3-((3-Bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl)-N,N-di...SMILES: CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)BrInChIKey: BREATYVWRHIPIY-UHFFFAOYSA-NInChI: InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
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2,4-Dichloro-3-cyanophenylboronic acid
Cas Number: 957120-87-5Formula: C7H4BCl2NO2Molecular weight: 215.8Synonyms: 2,4-DICHLORO-3-CYANOPHENYLBORONIC ACID|957120-87-5|3-Cyano-2,4-dichlorobenzeneboronic acid|(2,4-dich...SMILES: B(C1=C(C(=C(C=C1)Cl)C#N)Cl)(O)OInChIKey: FFNJVSXDMXUODJ-UHFFFAOYSA-NInChI: InChI=1S/C7H4BCl2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H
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Methyl 4-amino-3-(diethylamino)benzoate
Cas Number: 1314987-87-5Formula: C12H18N2O2Molecular weight: 222.3Synonyms: Methyl 4-amino-3-(diethylamino)benzoate|1314987-87-5|4-(Methoxycarbonyl)-2,2-diethylbenzene-1,2-diam...SMILES: CCN(CC)C1=C(C=CC(=C1)C(=O)OC)NInChIKey: ILZMGHGPYNRXCS-UHFFFAOYSA-NInChI: InChI=1S/C12H18N2O2/c1-4-14(5-2)11-8-9(12(15)16-3)6-7-10(11)13/h6-8H,4-5,13H2,1-3H3
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N-(4-Phenoxyphenyl)acetamide
Cas Number: 6312-87-4Formula: C14H13NO2Molecular weight: 227.26Synonyms: N-(4-Phenoxyphenyl)acetamide|6312-87-4|N-(4-Phenoxy-phenyl)-acetamide|CSE7U756DE|NSC-40576|CCRIS 739...SMILES: CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2InChIKey: JIHOMPVYRSEHKW-UHFFFAOYSA-NInChI: InChI=1S/C14H13NO2/c1-11(16)15-12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)
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4,6-Dichloro-3-formylcoumarin
Cas Number: 51069-87-5Formula: C10H4O3C12Molecular weight: 243.04Synonyms: 4,6-Dichloro-3-formylcoumarin|51069-87-5|4,6-DICHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE|4,6-dichloro-...SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C=O)ClInChIKey: OKMFWQALBSVSDG-UHFFFAOYSA-NInChI: InChI=1S/C10H4Cl2O3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
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Alizapride HCl
Cas Number: 59338-87-3(DMSO)Formula: C16H21N5O2·HClMolecular weight: 351.831Synonyms: Alizapride hydrochloride|59338-87-3|Alizapride HCl|N-((1-Allylpyrrolidin-2-yl)methyl)-6-methoxy-1H-b...SMILES: COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.ClInChIKey: BRECEDGYMYXGNF-UHFFFAOYSA-NInChI: InChI=1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H
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Levocetirizine dihydrochloride, Histamine H1 receptor antagonist
Cas Number: 130018-87-0Formula: C21H25ClN2O3·2HClMolecular weight: 461.81Synonyms: Levocetirizine dihydrochloride|130018-87-0|Xyzal|Xusal|(R)-Cetirizine dihydrochloride|Levocetirizine...SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.ClInChIKey: PGLIUCLTXOYQMV-GHVWMZMZSA-NInChI: InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
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Ethyl 5-(4-nitrophenyl)oxazole-4-carboxylate
Cas Number: 72030-87-6Formula: C12H10N2O5Molecular weight: 262.2Synonyms: 72030-87-6|ethyl 5-(4-nitrophenyl)oxazole-4-carboxylate|5-(4-Nitro-phenyl)-oxazole-4-carboxylic acid...SMILES: CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)[N+](=O)[O-]InChIKey: WFXGNVYQHVQFKU-UHFFFAOYSA-NInChI: InChI=1S/C12H10N2O5/c1-2-18-12(15)10-11(19-7-13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
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ethyl 2-cyclopropylacetate
Cas Number: 53432-87-4Formula: C7H12O2Molecular weight: 128.171Synonyms: ETHYL 2-CYCLOPROPYLACETATE|53432-87-4|ETHYL CYCLOPROPANEACETATE|MFCD11976041|ethyl cyclopropylacetat...SMILES: CCOC(=O)CC1CC1InChIKey: AODPICOFZRYWKI-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-2-9-7(8)5-6-3-4-6/h6H,2-5H2,1H3
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TH-302, DNA inhibitor
Cas Number: 918633-87-1Formula: C9H16Br2N5O4PMolecular weight: 449.04Synonyms: evofosfamide|TH-302|918633-87-1|TH302|HAP-302|TH 302|n,n'-bis(2-bromoethyl)phosphorodiamidic acid (1...SMILES: CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBrInChIKey: UGJWRPJDTDGERK-UHFFFAOYSA-NInChI: InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
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4-Iodo-3-methylbenzoic acid
Cas Number: 52107-87-6Formula: C8H7IO2Molecular weight: 262.04Synonyms: 4-Iodo-3-methylbenzoic acid|52107-87-6|4-Iodo-3-MethylbenzoicAcid|3-methyl-4-iodobenzoic acid|4-iodo...SMILES: CC1=C(C=CC(=C1)C(=O)O)IInChIKey: DKMIWBBIVNNAMG-UHFFFAOYSA-NInChI: InChI=1S/C8H7IO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
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2-Bromoquinoline-4-carboxylic acid
Cas Number: 15733-87-6Formula: C10H6BrNO2Molecular weight: 252.1Synonyms: 2-BROMOQUINOLINE-4-CARBOXYLIC ACID|15733-87-6|4-Quinolinecarboxylic acid, 2-bromo-|MFCD08705669|2-br...SMILES: C1=CC=C2C(=C1)C(=CC(=N2)Br)C(=O)OInChIKey: LUHABDKNXNXNTO-UHFFFAOYSA-NInChI: InChI=1S/C10H6BrNO2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
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2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide
Cas Number: 175276-87-6Formula: C10H7Cl2N3OSMolecular weight: 288.15Synonyms: 175276-87-6|2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbohydrazide|2-(2,3-Dichlorophenyl)thiazole-4-ca...SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)NNInChIKey: DLCGCERSLQTRHR-UHFFFAOYSA-NInChI: InChI=1S/C10H7Cl2N3OS/c11-6-3-1-2-5(8(6)12)10-14-7(4-17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
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