基本情報
- 標準SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O- InChIKey
IZLVPOBNINIXJM-BUMFJRDRSA-N- 分子式
- C20H25FO3
- 平均分子量
- 332.4 g/mol
概要
9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.
名称と識別子
- 優先名称
- 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
名称と別名
Betamethasone-17-ketone3109-01-117-Oxo Betamethasone9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dioneD31QPG5VFRNSC-52437(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione(8S,9R,10S,11S,13S,14S,16S)-9-Fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dioneC20H25FO3NSC52437(11?,16?)- 9-Fluoro-11-hydroxy-16-methyl-androsta-1,4-diene-3,17-dione; 9?-Fluoro-11?-hydroxy-16?-methyl-1,4-androstadiene-3,17-dione; NSC 52437;UNII-D31QPG5VFR
名称をさらに表示
SCHEMBL10881379CHEBI:79412IZLVPOBNINIXJM-BUMFJRDRSA-NClobetasol Propionate Impurity 12MFCD09952266AKOS032958243FO26639Betamethasone-17-ketone (9alpha-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione)
データベース識別子
- CAS
3109-01-1- PubChem CID
- 243151
- ChEBI
CHEBI:79412- UNII
- D31QPG5VFR
- Nikkaji
- J1.619.051I
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 54.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 695
関連反応
1 件
関連ノート
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