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小分子和化合物库
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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乙酸异龙脑酯分子式: C12H20O2 分子量: 196.29IUPAC Name: [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetateSMILES: CC(=O)OC1CC2CCC1(C2(C)C)CInChIKey: KGEKLUUHTZCSIP-JBLDHEPKSA-NInChI: 1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
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胡椒酮(对映异构体的混合物, 以(R)-(-)-型为主)CAS号: 89-81-6分子式: C10H16O 分子量: 152.24IUPAC Name: 3-methyl-6-propan-2-ylcyclohex-2-en-1-oneSMILES: CC1=CC(=O)C(CC1)C(C)CInChIKey: YSTPAHQEHQSRJD-UHFFFAOYSA-NInChI: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
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扁桃酸3,3,5-三甲基环己酯 (异构体混合物)分子式: C17H24O3 分子量: 276.38IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetateSMILES: CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)OInChIKey: WZHCOOQXZCIUNC-UHFFFAOYSA-NInChI: 1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
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多巴胺盐酸盐-d4CAS号: 203633-19-6分子式: C8H7D4NO2·HCl 分子量: 193.66IUPAC Name: 4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochlorideSMILES: C1=CC(=C(C=C1CCN)O)O.ClInChIKey: CTENFNNZBMHDDG-URZLSVTISA-NInChI: 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i3D2,4D2;
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苯妥英-d10CAS号: 65854-97-9分子式: C15H2D10N2O2 分子量: 262.33IUPAC Name: 5,5-bis(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dioneSMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3InChIKey: CXOFVDLJLONNDW-LHNTUAQVSA-NInChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
