小分子和化合物库
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米托蒽醌(2-羟乙基)哌嗪杂质CAS号: 137132-70-8分子式: C22H26N4O6 分子量: 442.46IUPAC Name: 8,11-dihydroxy-4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dioneSMILES: C1CN(C2=C(N1)C3=C(C(=C2)NCCNCCO)C(=O)C4=C(C=CC(=C4C3=O)O)O)CCOInChIKey: GJMHXLAWJIOZMT-UHFFFAOYSA-NInChI: 1S/C22H26N4O6/c27-9-6-23-3-4-24-12-11-13-20(25-5-7-26(13)8-10-28)19-16(12)21(31)17-14(29)1-2-15(30)18(17)22(19)32/h1-2,11,23-25,27-30H,3-10H2
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2,3',4,5',6-五羟基联苯CAS号: 491-45-2分子式: C12H10O5 分子量: 234.2IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triolSMILES: C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)OInChIKey: KICYRZIVKKYRFS-UHFFFAOYSA-NInChI: 1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
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(+)-氯化毒蕈碱CAS号: 2303-35-7分子式: C9H20ClNO2 分子量: 209.71IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chlorideSMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]InChIKey: WUFRNEJYZWHXLC-CTERPIQNSA-MInChI: 1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
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11H-全氟十一酰氯CAS号: 2248-93-3分子式: C11HClF20O 分子量: 564.55IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chlorideSMILES: C(C(C(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: LFSNWCISDMSHBB-UHFFFAOYSA-NInChI: 1S/C11HClF20O/c12-1(33)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(13)14/h2H
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11H-全氟十一酸CAS号: 1765-48-6分子式: C11H2F20O2 分子量: 546.11IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acidSMILES: C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: MMYNPHSPRPZSSN-UHFFFAOYSA-NInChI: 1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)
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4a,5-二氢洛伐他汀CAS号: 77517-29-4分子式: C24H38O5 分子量: 406.56IUPAC Name: [(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(CC2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: IFIFFBWHLKGTMO-LDIGTXGYSA-NInChI: 1S/C24H38O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,14-21,23,25H,5,8-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21-,23+/m0/s1
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WAY-325415CAS号: 438474-97-6分子式: C17H18Cl2N2O3 分子量: 369.24SMILES: CN1CCN(CC1)C(=O)C2=CC=C(COC3=CC(=CC=C3Cl)Cl)O2
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匹美西林盐酸盐CAS号: 32887-03-9分子式: C21H33N3O5S.HCl 分子量: 476.03IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochlorideSMILES: CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C.ClInChIKey: UHPXMYLONAGUPC-WKLLBTDKSA-NInChI: 1S/C21H33N3O5S.ClH/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23;/h12,14-15,17H,6-11,13H2,1-5H3;1H/t14-,15+,17-;/m1./s1
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