WHO基本药物配体 - 小分子和化合物库

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炔雌醇
- ≥98%
CAS号 : 57-63-6 Compound CID : 5991

分子式: C₂₀H₂₄O₂ 分子量: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: InChI=1S/C20H24O2/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/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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氢氯噻嗪
- ≥99%
CAS号 : 58-93-5 Compound CID : 3639

分子式: C₇H₈ClN₃O₄S₂ 分子量: 297.739

IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
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