기본 정보
- 표준 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- 분자식
- C19H28O3
- 평균 분자량
- 304.4 g/mol
개요
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.
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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
이름 더 보기
UNII-6VJJ9I1FHR7alpha -hydroxytestosteroneSCHEMBL1332796RNCGWYKXAJCOLD-JUKXBMAYSA-N7.ALPHA.-HYDROXYTESTOSTERONE4-Androstene-7a,17b-diol-3-one,LMST02020068NSC 51179
데이터베이스 식별자
- CAS
62-83-9- PubChem CID
- 65541
- ChEBI
CHEBI:2295- UNII
- 6VJJ9I1FHR
- EC Number
- 103-015-1
- Nikkaji
- J239.114G
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 539
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
안전 및 규제
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesCarc. 2 (100%)
관련 반응
2건
연결된 노트
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