EfavirenzAMino알코올에틸카바메이트
Efavirenz amino alcohol ethyl carbamate
기본 정보
- CAS
211563-41-6- 표준 SMILES
CCOC(=O)Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)F- InChIKey
BZIKLWWRUOKZMC-HNNXBMFYSA-N- 분자식
- C16H15ClF3NO3
- 평균 분자량
- 361.74 g/mol
- 단동위원소 질량
- 361.0692555
이름 및 식별자
- 우선 이름
- Efavirenz amino alcohol ethyl carbamate
- IUPAC
- ethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate
- 현지명
- EfavirenzAMino알코올에틸카바메이트
- 영어명
- Efavirenz AMino Alcohol Ethyl CarbaMate
- 분자식
- C16H15ClF3NO3
- 분자량
- 361.74
이름 및 동의어
Efavirenz amino alcohol ethyl carbamate211563-41-6MCK9QPK7LIUNII-MCK9QPK7LIDTXSID70175395EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE [USP IMPURITY]EFAVIRENZ IMPURITY, EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE-(S)-ETHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATECARBAMIC ACID, (4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYNYL)PHENYL)-, ETHYL ESTERETHYL (4-CHLORO-2-((1S)-1-TRIFLUOROMETHYL-1-HYDROXY-3-CYCLOPROPYL-2-PROPYN-1-YL)PHENYL)CARBAMATEETHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATE, (S)-EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE (USP IMPURITY)
이름 더 보기
EfavirenzAMino알코올에틸카바메이트Efavirenz impurity LEfavirenz Impurity 9Efavirenz Impurity 17BZIKLWWRUOKZMC-HNNXBMFYSA-NEfavirenz amino alcohol ethylcarbomateEfavirenz Amino Alcohol Ethyl Carbamate (USP)Ethyl [4-Chloro-2-((1S)-1-trifluoromethyl-1-hydroxy-3- cyclopropyl-2-propyn-1-yl)phenyl]carbamateCarbamic acid, N-[4-chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]-, ethyl ester
RefChem:136324DTXCID9097886ethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate(S)-Ethyl (4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)carbamateEfavirenz Impurity 7Carbamic acid, [4-chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]-, ethyl ester (9CI); [4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]carbamic Acid Ethyl Ester; Ethyl N-[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)prop-2-yn-1-yl]phenyl]carbamateEfavirenz Impurity 14SCHEMBL17378666
데이터베이스 식별자
- CAS
211563-41-6- PubChem CID
- 71587639
- DTXSID
DTXSID70175395- UNII
- MCK9QPK7LI
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 538
물리화학적 성질
- 녹는점
- 138 · 138-140°C
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도Efavirenz Amino Alcohol Ethyl Carbamate is used in the synthesis of Efavirenz (E425000), a potent non-nucleoside HIV-1 reverse transcriptase inhibitor. Antiviral
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