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기본 정보
- CAS
173676-60-3- 표준 SMILES
COc1ccc(CNc2ccc(Cl)cc2[C@@](O)(C#CC2CC2)C(F)(F)F)cc1- InChIKey
BXJWOBQJYQHISM-FQEVSTJZSA-N- 분자식
- C21H19ClF3NO2
- 평균 분자량
- 409.835 g/mol
- 단동위원소 질량
- 409.10564119
이름 및 식별자
- 우선 이름
- (αS)-5-Chloro-α-(2-cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol
- 현지명
- (S)-5-클로로-a-(시클로프로필아세트닐)-2-[((4-메톡시페닐)메틸)아미노]-a-(트리플루오로메틸)벤젠메탄올(E-4)
- 영어명
- (S)-5-chloro-a-(Cyclopropylacetenyl)-2-[((4-methoxyphenyl)methyl)amino]-a- (trifluoromethyl) benzenemethanol (E-4)
- 분자식
- C21H19ClF3NO2
- 분자량
- 409.83
이름 및 동의어
(S)-5-클로로-a-(시클로프로필아세트닐)-2-[((4-메톡시페닐)메틸)아미노]-a-(트리플루오로메틸)벤젠메탄올(E-4)Efavirenz IP Imp IEfavirenz Impurity IEfavirenz IP Impurity IEfavirenz Impurity 9(Efavirenz IP Impurity I)(S)-5-Chloro-(cyclopropylethynyl)-2-[(4-Methoxyphenyl)Methyl]aMion trifluoroMethyl benzeneMethanol(S)-5-chloro-a-(Cyclopropylacetenyl)-2-[((4-Methoxyphenyl)Methyl)aMino]-a- (trifluoroMethyl) benzene(S)-5-Chloro-alpha-(2-cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-alpha-(trifluoro-methyl(S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-Methoxyphenyl)Methyl]aMino]-α-(trifluoroMethyl)benzeneMethanol(S)-5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)benzenemethanol(S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol
데이터베이스 식별자
- CAS
173676-60-3- PubChem CID
- 9844407
- DTXSID
DTXSID501109058- ChEMBL
CHEMBL3344475- UNII
- RUK6A4RQ7D
- Nikkaji
- J1.067.508A
물성
물리화학적 성질
- 녹는점
- 160 · 160-161°C
- 끓는 점
- 550.6 · 550.6±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 9.14 · 9.14±0.24(Predicted)
- 물리적 상태
- 고체
- 색상
- 옅은 노랑
화학 및 산업
응용 분야
용도(S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol is the S enantiomer of rac-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol (C365145). (S)-5-Chloro-α-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-α-(trifluoromethyl)benzenemethanol is also an impurity of Efavirenz (E425000), an HIV-1 reverse transcriptase inhibitor.
공급사34 곳
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