CAS 75585-80-7 Testosterone-cysteamine-dans (HCID 9577767)

部分構造検索類似構造を探す

基本情報

CAS: 75585-80-7
標準SMILES: C[C@]12CC/C(=N/OCC(=O)NCCSCC(=O)NCCNc3cccc4c(S(=O)(=O)O)cccc34)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2O
InChIKey: WFWAMPNZDXTYTJ-WHPYUFEKSA-N
分子式: C37H50N4O7S2
平均分子量: 726.9 g/mol

概要

structure given in first source

名称と識別子

優先名称: Testosterone-cysteamine-dans
IUPAC: 5-[2-[[2-[2-[[2-[(Z)-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]ethylsulfanyl]acetyl]amino]ethylamino]naphthalene-1-sulfonic acid
英語名: testosterone-cysteamine-DANS
分子式: C37H50N4O7S2
分子量: 726.9455

名称と別名

Testosterone-cysteamine-dans75585-80-71-Naphthalenesulfonic acid, 5-((2-((((2-((((((17beta)-17-hydroxyandrost-4-en-3-ylidene)amino)oxy)acetyl)amino)ethyl)thio)acetyl)amino)ethyl)amino)-RefChem:18834117 beta-hydroxy-4-androsten-3-one 3-O-(1'-sulfo-5'-naphthylaminoethylcarbamoylmethylthioethylcarbamoylmethyl)oxime17beta-Hydroxy-4-androsten-3-one 3-O-(1'-sulfo-5'-naphthylaminoethylcarbamoylmethylthioethylcarbamoylmethyl)oxime5-[2-[[2-[2-[[2-[(Z)-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]ethylsulfanyl]acetyl]amino]ethylamino]naphthalene-1-sulfonic acid

データベース識別子

CAS: 75585-80-7
PubChem CID: 9577767

物性

構造計算による物性

XLogP: 4.9
極性表面積: 200 Å²
水素結合供与体数: 5
水素結合受容体数: 10
回転可能結合数: 13
重原子数: 50
形式電荷: 0
複雑度: 1,400

化合物ノート

読み込み中…