기본 정보
- CAS
190448-57-8- 표준 SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
UOFYCFMTERCNEW-ADEYADIWSA-N- 분자식
- C30H29F2NO9
- 평균 분자량
- 585.5 g/mol
- 단동위원소 질량
- 585.18103783
개요
Ezetimibe phenoxy glucuronide is a glycoside.
이름 및 식별자
- 우선 이름
- Ezetimibe glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- 현지명
- 에제티미브페녹시글루쿠로나이드
- 영어명
- EZETIMIBE PHENOXY GLUCURONIDE
- 분자식
- C30H29F2NO9
- 분자량
- 585.55
이름 및 동의어
190448-57-8ezetimibe-glucuronideEzetimibe glucuronideSch-58235 GlucuronideV7FA38E13KSch-60663DTXSID10432454beta-D-Glucopyranosiduronic acid, 4-((2S,3R)-1-(4-fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-oxo-2-azetidinyl)phenylbeta-D-Glucopyranosiduronic acid, 4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenylRefChem:921430DTXCID80383282Ezetimibe Phenoxy Glucuronide
이름 더 보기
에제티미브페녹시글루쿠로나이드EZM-GSch 60663Sch 58235 GlucuronideEzetimibe Impurity 62Ezetimibe Impuriry 62EZETIMIBE B-D-GLUCURONIDEEzetimibe-β-D-glucuronideEzetimibe β-D-glucuronideEzetimbe phenoxy glucuronide
(2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidCHEMBL321017(2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidEzetimibe Impurity 40Ezetimibe Phenoxy b-D-Glucuronide.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((2S,3R)-1-(4-FLUOROPHENYL)-3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-OXO-2-AZETIDINYL)PHENYLC30H29F2NO9Ezetimibe |A-D-Glucuronide
데이터베이스 식별자
- CAS
190448-57-8- PubChem CID
- 9894653
- DTXSID
DTXSID10432454- ChEMBL
CHEMBL321017- ChEBI
CHEBI:232997- UNII
- V7FA38E13K
- Nikkaji
- J1.010.095J
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 920
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Ezetimibe
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 140 · 140-150°C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 갈색까지
- 안정성
- 흡습성
- InChIKey
- UOFYCFMTERCNEW-NRNQGHMBNA-N
- SMILES
- N1(C2=CC=C(C=C2)F)[C@H](C2=CC=C(C=C2)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)[C@@H](CC[C@H](O)C2C=CC(=CC=2)F)C1=O |&1:8,16,17,19,21,23,28,31,r|
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29389090
화학 및 산업
약리 정보
Metabolism/MetabolitesEzetimibe-glucuronide is a known human metabolite of Ezetimibe.
응용 분야
용도Phase-II metabolite of Ezetimibe, an antihyperlipoproteinemic. A Cholesterol absorption inhibitor. This compound is very hygroscopic. Handle with care
공급사74 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
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