디하이드로프로스카

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide

HCID 9864387CAS 98319-24-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: ZOIUUCNFVDJSJK-WSBQPABSSA-N
분자식: C23H38N2O2
평균 분자량: 374.6 g/mol
단동위원소 질량: 374.29332846

이름 및 식별자

우선 이름: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide
IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
현지명: 디하이드로프로스카
영어명: Dihydroproscar
분자식: C23H38N2O2
분자량: 374.56

이름 및 동의어

(4AR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamideRefChem:403148642-100-2Dihydroproscar98319-24-5Dihydro FinasterideDihydrofinasterideFinasteride EP Impurity AFinasteride Impurity A1,2-DihydrofinasterideMFCD00214352

이름 더 보기

디하이드로프로스카ANDROST-4-AZA-3-ONE-17BETA-N-TERT-BUTYL CARBOXAMIDEN-tert-butyl-3-oxo-4-aza-5α-androst-17β-carboxamide17β-(t-Butylcarbamoyl)-4-aza-5α-androstan-3-one3-oxo-4-aza-5a-androstane-17b-(n-tert-butylcarboxamide)DihydropercaFinasteride-ADihydro Persian Card

YXO6UEY0UP3-Oxo-4-aza-5-alpha-androstane-17-beta-N-t-butylcarboxamide(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)C23H38N2O2(5|A,17|A)-N-(1,1-Dimethylethyl)-3-oxo-4-aza-androstane-17-carboxamide

데이터베이스 식별자

CAS: 98319-24-5
PubChem CID: 9864387
DTXSID: DTXSID40432068
ChEMBL: CHEMBL2298592
UNII: YXO6UEY0UP
EC Number: 642-100-2
Nikkaji: J695.696C

물성

구조 계산 물성

XLogP: 4
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 27
형식 전하: 0
복잡도: 639

물리화학적 성질

녹는점: 273 · 273-275 °C
끓는 점: 569.4 · 569.4±49.0 °C(Predicted)
밀도: 1.051 · 1.051±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: 클로로포름(약간 용해됨), 메탄올
산도 계수 (pKa): 15.94 · 15.94±0.70(Predicted)
물리적 상태: 가루
색상: 노란색
InChIKey: ZOIUUCNFVDJSJK-WSBQPABSSA-N
SMILES: N1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@]([H])([C@]3([H])CC2)CC[C@@H]4C(NC(C)(C)C)=O)CCC1=O

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야

용도The reduced product of Finasteride (F342000): a mechanism-based inhibitor of human prostate and skin steroid 5α-reductase. It forms an enzyme-bound NADP-dihydrofinasteride adduct during this inhibitor y process.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

연결된 노트

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