(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
기본 정보
- CAS
163222-32-0- 표준 SMILES
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1- InChIKey
KEYVFYMGVLFXQK-DYIKCSJPSA-N- 분자식
- C31H27F2NO3
- 평균 분자량
- 499.5 g/mol
- 단동위원소 질량
- 499.19590005
이름 및 식별자
- 우선 이름
- (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
- IUPAC
- (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
- 영어명
- (3R,4S)-4-(4-(Benzyloxy)Phenyl)-1-(4-Fluorophenyl)-3-((S)-3-(4- Fluorophenyl)-3-Hydroxypropyl)Azetidin-2-One
- 분자식
- C31H27F2NO3
- 분자량
- 499.55
이름 및 동의어
163222-32-0(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one4'-O-Benzyloxy EzetimibeMFCD00937870Ezetimibe Impurity 41(3R,4S)-1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-2-AZETIDINONE(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-(3R,4S)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one4'-O-Benzyl EzetimibeC31H27F2NO3KEYVFYMGVLFXQK-DYIKCSJPSA-N
이름 더 보기
ZTB-81-(4-FEZ-ETLZTB-8 98%minEzetimibe BenzylBenzylated Ezetimibe4’-O-Benzyl EzetimibeEZETIMIBE BENZYL ESTER4’-O-Benzyloxy Ezetimibe
2-AZETIDINONE, 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S)-CHEMBL173660SCHEMBL2046587DTXSID101107850AKOS024464695AC-8741DS-9698(3R,4S)-4-(4-benzyloxyphenyl)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxy-propyl]azetidin-2-one
데이터베이스 식별자
- CAS
163222-32-0- PubChem CID
- 10577302
- DTXSID
DTXSID101107850- ChEMBL
CHEMBL173660- EC Number
- 605-319-4
- Nikkaji
- J1.125.961H
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 707
물리화학적 성질
- 녹는점
- 176 · 176 - 178°C
- 끓는 점
- 706.5 · 706.5±60.0 °C(Predicted)
- 밀도
- 1.27 · 1.270
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.15 · 14.15±0.20(Predicted)
- 색상
- 회백색
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H314
화학 및 산업
응용 분야
용도(3R,4S)-4-(4-(Benzyloxy)Phenyl)-1-(4-Fluorophenyl)-3-((S)-3-(4-Fluorophenyl)-3-Hydroxypropyl)Azetidin-2-One is protected Ezetimibe, used for the synthesis of related derivatives.
관련 반응
1건
화합물 노트
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