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小分子和化合物库
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蒿甲醚CAS号: 71963-77-4分子式: C16H26O5 分子量: 298.38IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecaneSMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)CInChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-NInChI: 1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
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安塞蜜CAS号: 55589-62-3 EC号: 259-715-3分子式: C4H4KNO4S 分子量: 201.24IUPAC Name: potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-oneSMILES: CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-MInChI: 1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
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兰索拉唑磺酸盐CAS号: 131926-99-3分子式: C16H14F3N3O3S 分子量: 385.36IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazoleSMILES: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)FInChIKey: TVMJMCGRSSSSDJ-UHFFFAOYSA-NInChI: 1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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盐酸利多卡因一水合物CAS号: 6108-05-0分子式: C14H22N2O · HCl · H2O 分子量: 288.81IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrate;hydrochlorideSMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.ClInChIKey: YECIFGHRMFEPJK-UHFFFAOYSA-NInChI: 1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
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米非司酮CAS号: 84371-65-3分子式: C29H35NO2 分子量: 429.59IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneSMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)OInChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-NInChI: 1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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美洛西林钠CAS号: 42057-22-7 Compound CID : 23685177分子式: C21H24N5NaO8S2 分子量: 561.56IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]InChIKey: GTGQRSIMEUWHPA-ZBJAFUORSA-MInChI: See more
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MAC13243CAS号: 1071638-38-4分子式: C20H25Cl2N3O2S 分子量: 442.40IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochlorideSMILES: COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)OC.ClInChIKey: VCJIDISBDZWDOJ-UHFFFAOYSA-NInChI: 1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H
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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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炔诺酮分子式: C20H26O2 分子量: 298.42IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-oneSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-NInChI: 1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
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N-去甲基氯氮平CAS号: 6104-71-8分子式: C17H17ClN4 分子量: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
