기본 정보
- CAS
63-01-4- 표준 SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2O- InChIKey
YMCWOAZGWMZGQT-FPNLOETNSA-N- 분자식
- C19H28O3
- 평균 분자량
- 304.4 g/mol
- 단동위원소 질량
- 304.20384475
개요
16alpha-hydroxytestosterone is a C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group. It has a role as an androgen. It is a C19-steroid, a 16alpha-hydroxy steroid, a diol, a 17beta-hydroxy steroid, a secondary alcohol, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
이름 및 식별자
- 우선 이름
- 16alpha-Hydroxytestosterone
- IUPAC
- (8R,9S,10R,13S,14S,16R,17R)-16,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 19-하이드록시테스토스테론-19-CME
- 영어명
- 19-Hydroxytestosterone-19-cme
- 분자식
- C19H28O3
- 분자량
- 304.42
이름 및 동의어
16alpha-Hydroxytestosterone16-Hydroxytestosterone63-01-476E963P1A9CHEBI:34172NSC-41338Androst-4-en-3-one, 16,17-dihydroxy-, (16alpha,17beta)-16alpha,17beta-Dihydroxy-4-androsten-3-one4-ANDROSTENE-16ALPHA,17BETA-DIOL-3-ONERefChem:437518636-306-1NSC 41338
이름 더 보기
19-하이드록시테스토스테론-19-CME16α-Hydroxytestosterone19-Hydroxytestosterone-19-cme4-Androstene-16α,17β-diol-3-one"4-ANDROSTEN-16-α, 17-β-DIOL-3-ONE"16α,17β-Dihydroxyandrost-4-en-3-one4-Androstene-16ALPHA,17B-diol-3-one16A hydroxytestosterone--dea schedule*iii itemAndrost-4-en-3-one, 16,17-dihydroxy-, (16α,17β)-
CHEMBL41131616alpha,17beta-dihydroxyandrost-4-en-3-oneUNII-76E963P1A916a-hydroxytestosteroneAndrost-4-en-3-one, 16,17-dihydroxy-, (16.alpha.,17.beta.)-16alpha-hydroxy-testosteroneSCHEMBL1899372YMCWOAZGWMZGQT-FPNLOETNSA-N
물성
구조 계산 물성
- XLogP
- 2.3
- 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]
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 192 · 192-194 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 아세토니트릴(약간), 메탄올(약간)에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- risk_code
- 61-40-20/21/22-63
- hazard_code
- Xn
- safety_code
- 53-22-36/37/39-36/37
화학 및 산업
약리 정보
Metabolism/Metabolites16-Hydroxytestosterone is a known human metabolite of testosterone.
응용 분야
용도19-Hydroxytestosterone-19-CME is a derivative of 19-Hydroxyandrostendione (H801500), a novel substituted estrogen as aromatase inhibitor. It induces neuroendocrine trans-differentiation of prostate cancer cells via an ectopic olactory receptor.
공급사5 곳
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
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