基本情報
- CAS
786592-95-8- 標準SMILES
CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@H]12- InChIKey
DNHCHRGCTVRAFT-JEHIOXJOSA-N- 分子式
- C25H38O4
- 平均分子量
- 402.6 g/mol
- 単同位体質量
- 402.27700969
概要
Oxprenoate is a spironolactone derivative and a potent aldosterone antagonist on mineralocorticoid biosynthesis with diuretic activity. As an aldosterone antagonist, oxprenoate may inhibit sodium resorption in the collecting duct and may eventually lead to diuresis.
名称と識別子
- 優先名称
- Oxprenoate
- IUPAC
- 3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
名称と別名
Oxprenoate786592-95-8UNII-2JGY63UVRO2JGY63UVRORU2831817-Hydroxy-3-oxo-7alpha-propyl-17alpha-pregn-4-ene-21-carboxylatePregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-,(7alpha,17alpha)-3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acidPregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-, (7alpha,17alpha)-Oxprenoic acidGTPL3451orb1740781
名称をさらに表示
SCHEMBL6705626CHEMBL2107003DTXSID90229228DNHCHRGCTVRAFT-JEHIOXJOSA-NRU-28328T68699BRD-K37687387-237-01-7Q27088646
データベース識別子
- CAS
786592-95-8- PubChem CID
- 3034004
- DTXSID
DTXSID90229228- ChEMBL
CHEMBL2107003- UNII
- 2JGY63UVRO
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 726
関連反応
2 件
化合物ノート
読み込み中…