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卡巴拉汀CAS号: 123441-03-2 Compound CID : 77991分子式: C14H22N2O2 分子量: 250.34IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamateSMILES: CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)CInChIKey: XSVMFMHYUFZWBK-NSHDSACASA-NInChI: 1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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硫康唑硝酸盐CAS号: 61318-91-0 Compound CID : 65495分子式: C18H15Cl3N2S·HNO3 分子量: 460.76IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acidSMILES: C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]InChIKey: CRKGMGQUHDNAPB-UHFFFAOYSA-NInChI: 1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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渥曼青霉素CAS号: 19545-26-7 Compound CID : 312145分子式: C23H24O8 分子量: 428.43IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetateSMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)CInChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-NInChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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甲基硫酸新斯的明分子式: C13H22N2O6S 分子量: 334.39IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfateSMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]InChIKey: OSZNNLWOYWAHSS-UHFFFAOYSA-MInChI: 1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
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盐酸多奈哌齐CAS号: 120011-70-3分子式: C24H29NO3·HCl 分子量: 415.96IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochlorideSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.ClInChIKey: XWAIAVWHZJNZQQ-UHFFFAOYSA-NInChI: 1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H
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硝酸益康唑分子式: C18H15Cl3N2O·HNO3 分子量: 444.7IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acidSMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-NInChI: 1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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溴化新斯的明CAS号: 114-80-7分子式: C12H19BrN2O2 分子量: 303.2IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromideSMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]InChIKey: LULNWZDBKTWDGK-UHFFFAOYSA-MInChI: 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
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IpidacrineCAS号: 62732-44-9 Compound CID : 604519分子式: C12H16N2 分子量: 188.274IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amineSMILES: C1CCC2=C(C1)C(=C3CCCC3=N2)NInChIKey: YLUSMKAJIQOXPV-UHFFFAOYSA-NInChI: 1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
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GNE-900CAS号: 1200126-26-6 Compound CID : 44545757分子式: C23H21N5 分子量: 367.45IUPAC Name: 12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrileSMILES: C1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(NC5=C4C=C(N=C5)C#N)N=C3InChIKey: PPYHOOZGDDPLKM-UHFFFAOYSA-NInChI: 1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)
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Debio 0932CAS号: 1061318-81-7 Compound CID : 44156921分子式: C22H30N6O2S 分子量: 442.58IUPAC Name: 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amineSMILES: CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4InChIKey: RVJIQAYFTOPTKK-UHFFFAOYSA-NInChI: 1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)
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