CAS 115375-60-5 ((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate (HCID 10457059)

기본 정보

CAS: 115375-60-5
표준 SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]32)C1
InChIKey: MCIVSCZCJRGEJR-ZKHIMWLXSA-N
분자식: C22H29F3O5S
평균 분자량: 462.5 g/mol

이름 및 식별자

우선 이름: ((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate
IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
영어명: (3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)
분자식: C22H29F3O5S
분자량: 462.52

이름 및 동의어

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetateRefChem:390103806-821-8115375-60-5(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateMFCD18252939(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(((trifluoromethyl)sulfonyl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateC22H29F3O5S[10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateAndrosta-5,16-diene-3beta,17-diol 3-Acetate 17-Trifluoromethanesulfonate(3beta)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)

이름 더 보기

Abiraterone Impurity 45

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 31
형식 전하: 0
복잡도: 932

물리화학적 성질

녹는점: 75 · 75-76 °C
끓는 점: 491.9 · 491.9±45.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18508

Hazard Classes and CategoriesRepr. 1B (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H360

화학 및 산업

응용 분야

용도Intermediate in the production of Abiraterone Acetate

상·하류 제품 정보

하류 제품

Abiraterone acetate

공급사47 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海科骊科生物技术有限公司021-34975789 18721102763

希瓦生物科技（广州）有限公司13268215580 · [email protected]

United Life Science020-82099279 18988941402 · [email protected]

上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]

화합물 노트

불러오는 중…

((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate