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Search results for: '1286734-87-9'
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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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3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine
Cas Number: 1065074-87-4Formula: C10H12BrN3O2Molecular weight: 286.1Synonyms: 3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine|1065074-87-4|3-bromo-5-nitro-2-piperidin-1-ylpyridine|DTX...SMILES: C1CCN(CC1)C2=C(C=C(C=N2)[N+](=O)[O-])BrInChIKey: NRAXSTYTCXKRLR-UHFFFAOYSA-NInChI: InChI=1S/C10H12BrN3O2/c11-9-6-8(14(15)16)7-12-10(9)13-4-2-1-3-5-13/h6-7H,1-5H2
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1-Methyl-1H-indole-6-carbonitrile
Cas Number: 20996-87-6Formula: C10H8N2Molecular weight: 156.18Synonyms: 1-Methyl-1H-indole-6-carbonitrile|20996-87-6|1-Methylindole-6-carbonitrile|MFCD08690254|1-Methyl-6-c...SMILES: CN1C=CC2=C1C=C(C=C2)C#NInChIKey: FOGAAHLMYPQCJG-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2/c1-12-5-4-9-3-2-8(7-11)6-10(9)12/h2-6H,1H3
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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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5-Ethynylpyridine-3-carboxylic acid
Cas Number: 1211533-87-7Formula: C8H5NO2Molecular weight: 147.13Synonyms: F2167-2825 | 5-ethynylpyridine-3-carboxylic acid | EN300-120575 | 5-ethynylpyridine-3-carboxylicacid...SMILES: C#CC1=CC(=CN=C1)C(=O)OInChIKey: GXDWHRUZQQCVCV-UHFFFAOYSA-NInChI: InChI=1S/C8H5NO2/c1-2-6-3-7(8(10)11)5-9-4-6/h1,3-5H,(H,10,11)
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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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2,9-diazaspiro[4.5]decane;dihydrochloride
Cas Number: 1334499-87-4Synonyms: PS-16161 | 2,7-Diazaspiro[4.5]decane--hydrogen chloride (1/2) | 2,7-Diazaspiro[4.5]decanedihydrochlo...SMILES: C1CC2(CCNC2)CNC1.Cl.ClInChIKey: LHVVPDCZMCURSE-UHFFFAOYSA-NInChI: InChI=1S/C8H16N2.2ClH/c1-2-8(6-9-4-1)3-5-10-7-8;;/h9-10H,1-7H2;2*1H
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methyl 5-hydroxy-6-iodopyridine-3-carboxylate
Cas Number: 1189816-87-2Formula: C7H6INO3Molecular weight: 279.03Synonyms: methyl 5-hydroxy-6-iodopyridine-3-carboxylate | 1189816-87-2 | methyl 5-hydroxy-6-iodonicotinate | S...SMILES: COC(=O)C1=CC(=C(N=C1)I)OInChIKey: UKOKYRURRVVDHR-UHFFFAOYSA-NInChI: InChI=1S/C7H6INO3/c1-12-7(11)4-2-5(10)6(8)9-3-4/h2-3,10H,1H3
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6-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
Cas Number: 1190322-87-2Formula: C7H5FN2OMolecular weight: 152.13Synonyms: 1190322-87-2 | 6-Fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 6-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin...SMILES: C1C2=C(NC1=O)N=C(C=C2)FInChIKey: BTZNXQFEMDUYHT-UHFFFAOYSA-NInChI: InChI=1S/C7H5FN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-2H,3H2,(H,9,10,11)
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6-bromo-3-methyl-pyridine-2-carbonitrile
Cas Number: 1379335-87-1Formula: C7H5N2BrMolecular weight: 197.03Synonyms: 6-Bromo-3-methyl-2-pyridinecarbonitrile | 1379335-87-1 | SB52554 | SCHEMBL22129397 | 2-Pyridinecarbo...SMILES: CC1=C(N=C(C=C1)Br)C#NInChIKey: FGVHKABWIDIKRG-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrN2/c1-5-2-3-7(8)10-6(5)4-9/h2-3H,1H3
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(2R)-1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid
Cas Number: 536747-87-2Formula: C10H15F2NO4Molecular weight: 251.23Synonyms: 536747-87-2|(R)-1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLIC ACID|(R)-1-Boc-4,4-difl...SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)FInChIKey: WTMZYKCXBXPVPT-ZCFIWIBFSA-NInChI: InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m1/s1
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5-Chloro-2-fluoro-3-methylphenylboronic acid
Cas Number: 352535-87-6Formula: C7H7BClFO2Molecular weight: 188.39Synonyms: 5-Chloro-2-fluoro-3-methylphenylboronic acid|352535-87-6|(5-Chloro-2-fluoro-3-methylphenyl)boronic a...SMILES: B(C1=CC(=CC(=C1F)C)Cl)(O)OInChIKey: VPOGMSLEVIXAAC-UHFFFAOYSA-NInChI: InChI=1S/C7H7BClFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3
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4-chloro-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
Cas Number: 1060815-87-3Formula: C8H8ClN3Molecular weight: 181.62Synonyms: 4-CHLORO-2,5-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE|1060815-87-3|MFCD13189358|SCHEMBL20182173|DTXSID30...SMILES: CC1=CNC2=C1C(=NC(=N2)C)ClInChIKey: VQPDWWNXBVNJDK-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClN3/c1-4-3-10-8-6(4)7(9)11-5(2)12-8/h3H,1-2H3,(H,10,11,12)
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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-(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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Methyl 4-(4-chlorophenyl)isoxazole-5-carboxylate
Cas Number: 1072944-87-6Formula: C11H8ClNO3Molecular weight: 237.6Synonyms: METHYL 4-(4-CHLOROPHENYL)ISOXAZOLE-5-CARBOXYLATE|1072944-87-6|methyl 4-(4-chlorophenyl)-1,2-oxazole-...SMILES: COC(=O)C1=C(C=NO1)C2=CC=C(C=C2)ClInChIKey: QCVYAVASMNNCGK-UHFFFAOYSA-NInChI: InChI=1S/C11H8ClNO3/c1-15-11(14)10-9(6-13-16-10)7-2-4-8(12)5-3-7/h2-6H,1H3
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Choline bitartrate
Formula: C9H19NO7Molecular weight: 253.25Synonyms: CHOLINE BITARTRATE|87-67-2|CHOLINI BITARTRAS|2-(Hydroxyethyl)trimethylammonium bitartrate|Choline ta...SMILES: C[N+](C)(C)CCO.C(C(C(=O)[O-])O)(C(=O)O)OInChIKey: QWJSAWXRUVVRLH-UHFFFAOYSA-MInChI: InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1
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ethyl 3-methylpiperidine-4-carboxylate hydrochloride
Cas Number: 1159822-87-3Formula: C9H18ClNO2Molecular weight: 207.7Synonyms: 1159822-87-3|Ethyl 3-methylpiperidine-4-carboxylate hydrochloride|ethyl 3-methylpiperidine-4-carboxy...SMILES: CCOC(=O)C1CCNCC1C.ClInChIKey: DWVGFZFOOYRFLV-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-4-5-10-6-7(8)2;/h7-8,10H,3-6H2,1-2H3;1H
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3,6-Dimethoxylpyridazine-4-boronic acid
Cas Number: 1015480-87-1Formula: C6H9BN2O4Molecular weight: 183.96Synonyms: 1015480-87-1|(3,6-dimethoxypyridazin-4-yl)boronic acid|3,6-Dimethoxylpyridazine-4-boronic acid|3,6-d...SMILES: B(C1=CC(=NN=C1OC)OC)(O)OInChIKey: ZMMDVCDFKFTXIC-UHFFFAOYSA-NInChI: InChI=1S/C6H9BN2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3,10-11H,1-2H3
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Myelin Basic Protein (87-99)
Cas Number: 118506-26-6Short Overview: Major antigenic component implicated in the pathophysiology of multiple sclerosisSMILES: See moreInChIKey: XSSZRUKIAIQNAZ-SAKFXWCOSA-NInChI: See more
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2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
Cas Number: 4414-87-3Formula: C9H7N3Molecular weight: 157.17Synonyms: 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile|4414-87-3|1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile|2-{...SMILES: C1=CC2=C(NC=C2CC#N)N=C1InChIKey: KSBVCBLNHLSKFN-UHFFFAOYSA-NInChI: InChI=1S/C9H7N3/c10-4-3-7-6-12-9-8(7)2-1-5-11-9/h1-2,5-6H,3H2,(H,11,12)
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