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
963-75-7- 標準SMILES
C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
ISJVDMWNISUFRJ-HKQXQEGQSA-N- 分子式
- C19H28O
- 平均分子量
- 272.4 g/mol
- 単同位体質量
- 272.21401552
概要
structure given in first source
名称と識別子
- 優先名称
- 5alpha-Androst-2-en-17-one
- IUPAC
- (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
名称と別名
963-75-75alpha-Androst-2-en-17-oneAndrost-2-en-17-oneAHC8P4E4ZL5-androst-2-en-17-oneDTXSID30914585RefChem:5580355 alpha-androst-2-en-17-oneDTXCID001474040213-517-35a-Androst-2-en-17-oneNSC 44506
名称をさらに表示
NSC 80614(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneCHEMBL20582675-alpha-androst-2-en-17-one(3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one(5a)-Androst-2-en-17-one, 90%Androst-2-en-17-one, (5.alpha.)-17-oxo-5a-androst-2-ene
データベース識別子
- CAS
963-75-7- PubChem CID
- 101928
- DTXSID
DTXSID30914585- ChEMBL
CHEMBL2058267- UNII
- AHC8P4E4ZL
- EC Number
- 104-204-1、213-517-3
- Nikkaji
- J21.002A
物性
構造計算による物性補完中
- XLogP
- 4.9
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 464
安全と法規制
GHS分類
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationStatus: Active Update: 19-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30719
Other Safety InformationIMAP assessments - Androst-2-en-17-one, (5.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
関連反応
4 件
化合物ノート
読み込み中…