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小分子和化合物库
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N-去甲基氯氮平分子式: C17H17ClN4 分子量: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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SKF38393 盐酸盐CAS号 : 62717-42-4 Compound CID : 147514分子式: C16H17NO2.HCl 分子量: 291.78IUPAC Name: 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochlorideSMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.ClInChIKey: YEWHJCLOUYPAOH-UHFFFAOYSA-NInChI: InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H
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（R）-（+）-SKF38393盐酸盐CAS号 : 81702-42-3 Compound CID : 6852375分子式: C16H17NO2.HCl 分子量: 291.78IUPAC Name: (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochlorideSMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.ClInChIKey: YEWHJCLOUYPAOH-PFEQFJNWSA-NInChI: InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m1./s1
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SKF 82958 氢溴酸盐CAS号 : 74115-01-8 Compound CID : 9909521分子式: C19H20ClNO2.HBr 分子量: 410.73IUPAC Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromideSMILES: C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.BrInChIKey: WLXGFAVTAAQOFH-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H
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SKF 81297 氢溴酸盐CAS号 : 67287-39-2 Compound CID : 11957706分子式: C16H16ClNO2•HBr 分子量: 370.67IUPAC Name: 9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromideSMILES: C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.BrInChIKey: RMIJGBMRNYUZRG-UHFFFAOYSA-NInChI: InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H
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LE 300,D1拮抗剂CAS号 : 274694-98-3 Compound CID : 4350931分子式: C20H22N2 分子量: 290.41IUPAC Name: 11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaeneSMILES: CN1CCC2=CC=CC=C2CC3=C(CC1)C4=CC=CC=C4N3InChIKey: YEWGIGCYIAMFMA-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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(s)-四氢小檗碱分子式: C20H21NO4 分子量: 339.39IUPAC Name: (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaeneSMILES: COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OCInChIKey: VZTUIEROBZXUFA-INIZCTEOSA-NInChI: InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
