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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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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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盐酸头孢甲肟CAS号: 75738-58-8 Compound CID : 11954009分子式: C32H34N18O10S6·HCl 分子量: 1059.58IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochlorideSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.ClInChIKey: MPTNDTIREFCQLK-UNVJPQNDSA-NInChI: See more
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71 22-二氟-2-（4-甲基吡啶-2-基）乙酸CAS号: 1781036-04-1分子式: C8H7F2NO2 分子量: 187.15IUPAC Name: 2,2-difluoro-2-(4-methylpyridin-2-yl)acetic acidSMILES: CC1=CC(=NC=C1)C(C(=O)O)(F)FInChIKey: LCGRGGRRGPLBPI-UHFFFAOYSA-NInChI: 1S/C8H7F2NO2/c1-5-2-3-11-6(4-5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
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01 反式-2-（24-二甲基苯基）环丙烷-1-羧酸CAS号: 2227783-40-4 Compound CID : 93299337分子式: C12H14O2 分子量: 190.24IUPAC Name: (1R,2R)-2-(2,4-dimethylphenyl)cyclopropane-1-carboxylic acidSMILES: CC1=CC(=C(C=C1)C2CC2C(=O)O)CInChIKey: BDCAWIWSTIEPCK-WDEREUQCSA-NInChI: 1S/C12H14O2/c1-7-3-4-9(8(2)5-7)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11+/m0/s1
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Bisindolylmaleimide VIII acetateCAS号: 138516-31-1分子式: C24H22N4O2.CH3CO2H 分子量: 458.51IUPAC Name: acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dioneSMILES: CC(=O)O.CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNInChIKey: VEOXVBTXROWDAH-UHFFFAOYSA-NInChI: 1S/C24H22N4O2.C2H4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20;1-2(3)4/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30);1H3,(H,3,4)
![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)
