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小分子和化合物库
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胆甾醇溴CAS号: 516-91-6分子式: C27H45Br 分子量: 449.56IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthreneSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Br)C)CInChIKey: WDRGNJZPWVRVSN-DPAQBDIFSA-NInChI: 1S/C27H45Br/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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松香酸分子式: C20H30O2 分子量: 302.45IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidSMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)CInChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-NInChI: 1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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1,1'-(丁烷-1,4-二基)双[4-氮杂-1-氮鎓双环[2.2.2]辛烷]二溴盐CAS号: 94630-50-9分子式: C16H32Br2N4 分子量: 440.27IUPAC Name: 1-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-4-aza-1-azoniabicyclo[2.2.2]octane;dibromideSMILES: C1C[N+]2(CCN1CC2)CCCC[N+]34CCN(CC3)CC4.[Br-].[Br-]InChIKey: HYFFXZLULREGEA-UHFFFAOYSA-LInChI: 1S/C16H32N4.2BrH/c1(9-19-11-3-17(4-12-19)5-13-19)2-10-20-14-6-18(7-15-20)8-16-20;;/h1-16H2;2*1H/q+2;;/p-2
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α-酮戊二酸 二钠盐 二水合物CAS号: 305-72-6分子式: C5H4O5Na2·2H2O 分子量: 226.09IUPAC Name: disodium;2-oxopentanedioateSMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]InChIKey: YBGBJYVHJTVUSL-UHFFFAOYSA-LInChI: 1S/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
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富马酸二钠CAS号: 17013-01-3分子式: C4H2Na2O4 分子量: 160.04IUPAC Name: disodium;(E)-but-2-enedioateSMILES: C(=CC(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: MSJMDZAOKORVFC-SEPHDYHBSA-LInChI: 1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
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溴化十烃季胺CAS号: 541-22-0分子式: C16H38Br2N2 分子量: 418.3IUPAC Name: trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromideSMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]InChIKey: HLXQFVXURMXRPU-UHFFFAOYSA-LInChI: 1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
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依氟鸟氨酸盐酸盐 一水合物CAS号: 96020-91-6分子式: C6H12F2N2O2·HCl·H2O 分子量: 236.65IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrate;hydrochlorideSMILES: C(CC(C(F)F)(C(=O)O)N)CN.O.ClInChIKey: FJPAMFNRCFEGSD-UHFFFAOYSA-NInChI: 1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
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Cytostatin,PP2A抑制剂CAS号: 156856-30-3 Compound CID : 6326740分子式: C21H32NaO7P 分子量: 450.44IUPAC Name: [(8E,10E,12E)-7-hydroxy-6-methyl-2-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)tetradeca-8,10,12-trien-5-yl] dihydrogen phosphateSMILES: CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)OInChIKey: PQNNIEWMPIULRS-SUTYWZMXSA-NInChI: 1S/C21H33O7P/c1-5-6-7-8-9-10-18(22)17(4)19(28-29(24,25)26)13-11-15(2)21-16(3)12-14-20(23)27-21/h5-10,12,14-19,21-22H,11,13H2,1-4H3,(H2,24,25,26)/b6-5+,8-7+,10-9+
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2-乙基-3-羟基-6-甲基吡啶琥珀酸盐CAS号: 127464-43-1分子式: C8H11NO•C4H4O4 分子量: 255.27IUPAC Name: butanedioic acid;2-ethyl-6-methylpyridin-3-olSMILES: CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)OInChIKey: IKMNOGHPKNFPTK-UHFFFAOYSA-NInChI: 1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
![1,1'-(丁烷-1,4-二基)双[4-氮杂-1-氮鎓双环[2.2.2]辛烷]二溴盐](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/B/1/B152164.png)
