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戊唑醇分子式: C16H22ClN3O 分子量: 307.82IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-olSMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)OInChIKey: PXMNMQRDXWABCY-UHFFFAOYSA-NInChI: 1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
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阿西维辛CAS号: 42228-92-2分子式: C5H7ClN2O3 分子量: 178.57IUPAC Name: (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acidSMILES: C1C(ON=C1Cl)C(C(=O)O)NInChIKey: QAWIHIJWNYOLBE-OKKQSCSOSA-NInChI: 1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
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癸氧喹酯CAS号: 18507-89-6 EC号: 242-389-1分子式: C24H35NO5 分子量: 417.54IUPAC Name: ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylateSMILES: CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCCInChIKey: JHAYEQICABJSTP-UHFFFAOYSA-NInChI: 1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
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丙酸氟替卡松CAS号: 80474-14-2分子式: C25H31F3O5S 分子量: 500.57IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoateSMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCFInChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-NInChI: See more
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苄索氯铵分子式: C27H42ClNO2 分子量: 448.08IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorideSMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-MInChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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6-羟基多巴胺盐酸盐CAS号: 28094-15-7 EC号: 248-837-2分子式: (HO)3C6H2CH2CH2NH2 · HCl 分子量: 205.64IUPAC Name: 5-(2-aminoethyl)benzene-1,2,4-triol;hydrochlorideSMILES: C1=C(C(=CC(=C1O)O)O)CCN.ClInChIKey: QLMRJHFAGVFUAC-UHFFFAOYSA-NInChI: 1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
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N-丁基氨基甲酸-3-碘-2-丙炔酯CAS号: 55406-53-6 EC号: 259-627-5分子式: C8H12INO2 分子量: 281.09IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamateSMILES: CCCCNC(=O)OCC#CIInChIKey: WYVVKGNFXHOCQV-UHFFFAOYSA-NInChI: 1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
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凯他色林CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2分子式: C22H22FN3O3 分子量: 395.43IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dioneSMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=OInChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-NInChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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阿法骨化醇CAS号: 41294-56-8 EC号: 255-297-1分子式: C27H44O2 分子量: 400.64IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diolSMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: OFHCOWSQAMBJIW-AVJTYSNKSA-NInChI: 1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
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羟吡酮CAS号: 68890-66-4 EC号: 272-574-2分子式: C14H23NO2·C2H7NO 分子量: 298.42IUPAC Name: 2-aminoethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-oneSMILES: CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.C(CO)NInChIKey: BTSZTGGZJQFALU-UHFFFAOYSA-NInChI: 1S/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2
