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阿立哌唑CAS号: 129722-12-9分子式: C23H27Cl2N3O2 分子量: 448.39IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)ClInChIKey: CEUORZQYGODEFX-UHFFFAOYSA-NInChI: 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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米尔塔扎平CAS号: 85650-52-8分子式: C17H19N3 分子量: 265.35IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-NInChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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莫索尼啶CAS号: 75438-57-2 EC号: 629-833-3分子式: C9H12ClN5O 分子量: 241.68IUPAC Name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amineSMILES: CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OCInChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-NInChI: 1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
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5-(N-乙基-N-异丙基)阿米洛利(EIPA)CAS号: 1154-25-2分子式: C11H18ClN7O 分子量: 299.76IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamideSMILES: CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)CInChIKey: QDERNBXNXJCIQK-UHFFFAOYSA-NInChI: 1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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帕莫酸分子式: C23H16O6 分子量: 388.37IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)OInChIKey: WLJNZVDCPSBLRP-UHFFFAOYSA-NInChI: 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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普拉克索CAS号: 104632-26-0 EC号: 600-593-1分子式: C10H17N3S 分子量: 211.33IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamineSMILES: CCCNC1CCC2=C(C1)SC(=N2)NInChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-NInChI: 1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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利哌酮CAS号: 106266-06-2 Compound CID : 5073分子式: C23H27FN4O2 分子量: 410.48IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-NInChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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阿托品分子式: C17H23NO3 分子量: 289.37IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoateSMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-NInChI: 1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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布美他尼CAS号: 28395-03-1 EC号: 249-004-6分子式: C17H20N2O5S 分子量: 364.42IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acidSMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2InChIKey: MAEIEVLCKWDQJH-UHFFFAOYSA-NInChI: 1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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溴莫尼定CAS号: 59803-98-4 EC号: 620-306-3分子式: C11H10BrN5 分子量: 292.135IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amineSMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)BrInChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-NInChI: 1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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卡维地洛CAS号: 72956-09-3分子式: C24H26N2O4 分子量: 406.47IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-olSMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OInChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-NInChI: 1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
