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小分子和化合物库
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Clopidogrel hydrogensulfateCAS号: 135046-48-9 Compound CID : 16757820分子式: C16H16ClNO2S · H2SO4 分子量: 419.9IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acidSMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)OInChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-NInChI: 1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)
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3-Deazaneplanocin A hydrochlorideCAS号: 120964-45-6 Compound CID : 14563109分子式: C12H14N4O3 · HCl 分子量: 298.73IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochlorideSMILES: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.ClInChIKey: UNSKMHKAFPRFTI-FDKLLANESA-NInChI: 1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
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双十八烷基胺分子式: [CH3(CH2)17]2NH 分子量: 521.99IUPAC Name: N-octadecyloctadecan-1-amineSMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCInChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-NInChI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
