7alpha-Hydroxytestosterone

HCID 65541CAS 62-83-9

基本情報

標準SMILES: C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChIKey: RNCGWYKXAJCOLD-JUKXBMAYSA-N
分子式: C19H28O3
平均分子量: 304.4 g/mol

概要

7alpha -hydroxytestosterone is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has a role as an androgen, a mouse metabolite and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 7alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.

名称と識別子

優先名称: 7alpha-Hydroxytestosterone
IUPAC: (7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-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

62-83-97-Hydroxytestosterone7alpha-Hydroxytestosterone6VJJ9I1FHRCHEBI:2295NSC-51179(7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one7alpha,17beta-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 7,17-dihydroxy-, (7alpha,17beta)-(7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:5470817?-Hydroxytestosterone

名称をさらに表示

UNII-6VJJ9I1FHR7alpha -hydroxytestosteroneSCHEMBL1332796RNCGWYKXAJCOLD-JUKXBMAYSA-N7.ALPHA.-HYDROXYTESTOSTERONE4-Androstene-7a,17b-diol-3-one,LMST02020068NSC 51179

データベース識別子

CAS: 62-83-9
PubChem CID: 65541
ChEBI: CHEBI:2295
UNII: 6VJJ9I1FHR
EC Number: 103-015-1
Nikkaji: J239.114G

物性

構造計算による物性

XLogP: 2.2
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 22
形式電荷: 0
複雑度: 539

実験および物理化学的性質

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]

安全と法規制

GHS分類

GHS Classification · 4 件

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%)