기본 정보
- CAS
2102935-76-0- 표준 SMILES
C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12- InChIKey
JWJOTENAMICLJG-UWKVNAJESA-N- 분자식
- C27H30F6N2O2
- 평균 분자량
- 528.5 g/mol
- 단동위원소 질량
- 528.22114718
이름 및 식별자
- 우선 이름
- 17a-Dutasteride
- IUPAC
- (1R,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
- 영어명
- Dutasteride 17 Alpha Epimer
- 분자식
- C27H30F6N2O2
- 분자량
- 528.53
이름 및 동의어
17a-Dutasteride1796930-46-5Dutasteride EP impurity E2102935-76-017alpha-DutasterideUNII-6S8DGN8P3M6S8DGN8P3MDutasteride EP Impurity E (Dutasteride 17-alpha-epimer)(5alpha,17alpha)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide(4aR,4bS,6aS,7R,9aS,9bS,11aR)-N-(2,5-bis(trifluoromethyl)phenyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno(5,4-F)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7R,9aS,9bS,11aR)-1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7R,9aS,9bS,11aR)-rel-; rac-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5a-androst-1-ene-17a-carboxamide; (+/-)-17a-Dutasteride
이름 더 보기
Dutasteride 17 Alpha EpimerDutasteride EP Impurity E/Dutasteride 17-epimerDutasteride EP Impurity EQ: What is Dutasteride EP Impurity E Q: What is the CAS Number of Dutasteride EP Impurity E1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7R,9aS,9bS,11aR)-
Dutasteride Impurity 42Dutasteride impurity E [EP]JWJOTENAMICLJG-UWKVNAJESA-NID183744DUTASTERIDE IMPURITY E [EP IMPURITY]Dutasteride EP Impurity E(Relative stereochemistry)N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-aza-5alpha-androst-1-ene-17alpha-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2- oxo-, (4aR,4bS,6aS,7R,9aS,9bS,11aR)-rel?
데이터베이스 식별자
- CAS
2102935-76-0- PubChem CID
- 124406546
- UNII
- 6S8DGN8P3M
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 964
물리화학적 성질
- 끓는 점
- 620.3 · 620.3±55.0 °C(Predicted)
- 밀도
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.32 · 13.32±0.70(Predicted)
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