データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
145-14-2- 標準SMILES
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
RWBRUCCWZPSBFC-RXRZZTMXSA-N- 分子式
- C21H32O2
- 平均分子量
- 316.5 g/mol
- 単同位体質量
- 316.24023026
概要
(20S)-20-hydroxypregn-4-en-3-one is a 20-hydroxypregn-4-en-3-one. It has a role as a mouse metabolite and a human metabolite.
名称と識別子
- 優先名称
- 20alpha-Dihydroprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
名称と別名
145-14-220(S)-Hydroxyprogesterone(20S)-20-Hydroxypregn-4-en-3-oneDIHYDROPROGESTERONE20alpha-Dihydroprogesterone20alpha-Hydroxyprogesterone20-alpha-Dihydroprogesterone20-alpha-Hydroxyprogesterone20alpha-Hydroxypregn-4-en-3-onePregn-4-en-3-one, 20-hydroxy-, (20S)-20alpha-Hydroxydihydroprogesterone(S)-20-Hydroxypregn-4-en-3-one
名称をさらに表示
Pregn-4-en-3-one, 20-alpha-hydroxy-DTXSID1090476745630A64ACPregn-4-en-3-one, 20alpha-hydroxy-CHEBI:28453NSC-6863020 alpha Dihydroprogesterone20 alpha Hydroxyprogesterone
データベース識別子
- CAS
145-14-2- PubChem CID
- 8956
- DTXSID
DTXSID10904767- ChEMBL
CHEMBL1583424- ChEBI
CHEBI:28453- UNII
- 45630A64AC
- EC Number
- 205-649-5
- Nikkaji
- J6.126C
物性
構造計算による物性補完中
- XLogP
- 4.2
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 550
実験および物理化学的性質
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Melting Point126 - 131 °C
Physical DescriptionSolid
安全と法規制
GHS分類
GHS Classification
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesCarc. 2 (100%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY.
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
関連反応
2 件
化合物ノート
読み込み中…