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氮卓斯汀盐酸盐CAS号: 79307-93-0 Compound CID : 54360分子式: C22H24ClN3O·HCl 分子量: 418.36IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochlorideSMILES: CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.ClInChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-NInChI: 1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H
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阿戈美拉汀CAS号: 138112-76-2分子式: C15H17NO2 分子量: 243.3IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCInChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-NInChI: 1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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盐酸吗茚酮CAS号: 15622-65-8分子式: C16H24N2O2·HCl 分子量: 312.84IUPAC Name: 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one;hydrochlorideSMILES: CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C.ClInChIKey: GQWNECFJGBQMBO-UHFFFAOYSA-NInChI: 1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H
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美他沙酮分子式: C12H15NO3 分子量: 221.25IUPAC Name: 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-oneSMILES: CC1=CC(=CC(=C1)OCC2CNC(=O)O2)CInChIKey: IMWZZHHPURKASS-UHFFFAOYSA-NInChI: 1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
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尼伐地平CAS号: 75530-68-6 EC号: 805-887-5分子式: C19H19N3O6 分子量: 385.37IUPAC Name: 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)CInChIKey: FAIIFDPAEUKBEP-UHFFFAOYSA-NInChI: 1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
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尼可地尔CAS号: 65141-46-0分子式: C8H9N3O4 分子量: 211.17IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrateSMILES: C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-NInChI: 1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
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盐酸去甲替林分子式: C19H21N · HCl 分子量: 299.84IUPAC Name: N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochlorideSMILES: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: SHAYBENGXDALFF-UHFFFAOYSA-NInChI: 1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
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昂丹司琼盐酸盐 二水合物CAS号: 103639-04-9分子式: C18H19N3O·HCl·2H2O 分子量: 365.85IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochlorideSMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.ClInChIKey: VRSLTNZJOUZKLX-UHFFFAOYSA-NInChI: 1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
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普拉西坦 水合物CAS号: 68497-62-1分子式: C14H27N3O2·xH2O 分子量: 269.39(as Anhydrous)IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamideSMILES: CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)CInChIKey: ZULJGOSFKWFVRX-UHFFFAOYSA-NInChI: 1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)
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普拉克索二盐酸盐 一水合物分子式: C10H17N3S·2HCl·H2O 分子量: 302.26IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrate;dihydrochlorideSMILES: CCCNC1CCC2=C(C1)SC(=N2)N.O.Cl.ClInChIKey: APVQOOKHDZVJEX-QTPLPEIMSA-NInChI: 1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m0.../s1
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盐酸帕罗西汀 半水合物CAS号: 110429-35-1 Compound CID : 5282487分子式: C19H20FNO3·HCl·1/2 H2O 分子量: 374.83IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochlorideSMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.ClInChIKey: MQZOATSIFWSKKT-OASXIEIISA-NInChI: 1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1
