小分子
选项
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OxybutyninCAS号 : 5633-20-5(DMSO)分子式: C22H31NO3 分子量: 357.49SMILES: CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
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托吡卡胺CAS号 : 1508-75-4(DMSO)分子式: C17H20N2O2 分子量: 284.35SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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索利那辛琥珀酸盐CAS号 : 242478-38-2(water)分子式: C23H26N2O2·C4H6O4 分子量: 480.55SMILES: OC(=O)CCC(O)=O.O=C(OC1CN2CCC1CC2)N3CCC4=C(C=CC=C4)C3C5=CC=CC=C5
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脱羧氯雷他定CAS号 : 100643-71-8(DMSO)分子式: C19H19ClN2 分子量: 310.82SMILES: ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4
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阿地溴铵CAS号 : 320345-99-1(DMSO)分子式: C26H30NO4S2·Br 分子量: 564.55SMILES: [Br-].OC(C(=O)OC1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C4=CC=CS4)C5=CC=CS5
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雷米普利CAS号 : 87333-19-5(DMSO)分子式: C23H32N2O5 分子量: 416.51SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(O)=O
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苄索氯铵CAS号 : 121-54-0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: InChI=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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贝那普利游离碱CAS号 : 86541-75-5分子式: C24H28N2O5 分子量: 424.49IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acidSMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)OInChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-NInChI: InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
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CarbetapentaneCAS号 : 77-23-6分子式: C20H31NO3 分子量: 333.47IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylateSMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2InChIKey: CFJMRBQWBDQYMK-UHFFFAOYSA-NInChI: InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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甘罗溴铵CAS号 : 596-51-0分子式: C19H28NO3·Br 分子量: 398.33IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromideSMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]InChIKey: VPNYRYCIDCJBOM-UHFFFAOYSA-MInChI: InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1