기본 정보
- 표준 SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
YQDZGFAYWGWSJK-RUOITVIXSA-N- 분자식
- C19H28O3
- 평균 분자량
- 304.4 g/mol
- 단동위원소 질량
- 304.20384476
개요
11alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
이름 및 식별자
- 우선 이름
- 11alpha-Hydroxytestosterone
- IUPAC
- (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
이름 및 동의어
11alpha-Hydroxytestosterone3066-12-411alpha,17beta-Dihydroxyandrost-4-en-3-oneLFI38P8752NSC-3453511alpha-hydroxy Testosterone11.alpha.-HydroxytestosteroneUNII-LFI38P875211-alpha,17-beta-Dihydroxyandrost-4-en-3-one11-Hydroxytestosterone, 11alpha-11alpha-Hydroxytestosterone, (+)-(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
이름 더 보기
delta4-Androsten-3-one-11alpha,17beta-diolAndrost-4-en-3-one, 11,17-dihydroxy-, (11alpha,17beta)-11|A-HydroxytestosteroneTestosterone Impurity N2Methylprednisolone Impurity 91orb2283698SCHEMBL3362406BDBM91721
데이터베이스 식별자
- CAS
3066-12-4- PubChem CID
- 11954152
- DTXSID
DTXSID701354057- ChEBI
CHEBI:79808- UNII
- LFI38P8752
- EC Number
- 113-955-4
- Nikkaji
- J337.157C
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
1건
연결된 노트
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