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牛磺石胆酸3-硫酸二钠盐CAS号: 64936-83-0 Compound CID : 92043494分子式: C26H43NO8S2Na2 分子量: 607.73IUPAC Name: disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonateSMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+].[Na+]InChIKey: YHTVOGLKSGJIDL-RLHFEMFKSA-LInChI: See more
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咪唑立宾CAS号: 50924-49-7分子式: C9H13N3O6 分子量: 259.22IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamideSMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)NInChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-NInChI: 1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
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甲基多巴 倍半水合物CAS号: 41372-08-1分子式: C10H13NO4·1.5H2O 分子量: 238.24IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrateSMILES: O.O.O.C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O.C[C@](N)(Cc2ccc(O)c(O)c2)C(O)=OInChIKey: XDJUBZFLFDODNF-PPHPATTJSA-NInChI: 1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1
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甲磺酸萘莫司他CAS号: 82956-11-4分子式: C19H17N5O2·2CH4O3S 分子量: 539.58IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acidSMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)NInChIKey: SRXKIZXIRHMPFW-UHFFFAOYSA-NInChI: 1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)
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NG,NG-二甲基精氨酸二盐酸盐CAS号: 220805-22-1 Compound CID : 16219246分子式: C8H20Cl2N4O2 分子量: 275.18IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid;dihydrochlorideSMILES: CN(C)C(=NCCCC(C(=O)O)N)N.Cl.ClInChIKey: SYLNVYJOPZWPJI-ILKKLZGPSA-NInChI: 1S/C8H18N4O2.2ClH/c1-12(2)8(10)11-5-3-4-6(9)7(13)14;;/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14);2*1H/t6-;;/m0../s1
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泊马度胺CAS号: 19171-19-8分子式: C13H11N3O4 分子量: 273.24IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NInChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-NInChI: 1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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六水磷甲酸钠CAS号: 34156-56-4 Compound CID : 169569分子式: Na2O3PCO2Na · 6H2O 分子量: 300.04IUPAC Name: trisodium;phosphonatoformate;hexahydrateSMILES: C(=O)([O-])P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+]InChIKey: ILRVASBWNRYBFD-UHFFFAOYSA-KInChI: 1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2/q;3*+1;;;;;;/p-3
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替戈布韦CAS号: 1000787-75-6 Compound CID : 23649154分子式: C25H14F7N5 分子量: 517.40IUPAC Name: 5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridineSMILES: C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)FInChIKey: XBEQSQDCBSKCHJ-UHFFFAOYSA-NInChI: 1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
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曲古柳菌素A(TSA)CAS号: 58880-19-6 Compound CID : 444732分子式: C17H22N2O3 分子量: 302.37IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamideSMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)CInChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-NInChI: 1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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蓓萨罗丁CAS号: 153559-49-0分子式: C24H28O2 分子量: 348.48IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acidSMILES: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)CInChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-NInChI: 1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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环丙沙星CAS号: 85721-33-1分子式: C17H18FN3O3 分子量: 331.34IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acidSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OInChIKey: MYSWGUAQZAJSOK-UHFFFAOYSA-NInChI: 1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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