Anacetrapib metabolite M1

HCID 11527411

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기본 정보

CAS
875550-05-3
표준 SMILES
CC(C)c1cc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c(O)cc1F
InChIKey
XYMCQCXEGYUQJU-SXBQZSJRSA-N
분자식
C29H23F10NO3
평균 분자량
623.5 g/mol

이름 및 식별자

우선 이름
Anacetrapib metabolite M1
IUPAC
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-hydroxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

이름 및 동의어

Anacetrapib metabolite M1UNII-K9V5F9ZV6HK9V5F9ZV6H875550-05-3(4S,5R)-5-(3,5-Bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-yl)methyl)-4-methyl-2-oxazolidinone(4S,5R)-5-(3,5-Bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-isopropyl-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one2-Oxazolidinone, 5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-hydroxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-yl)methyl)-4-methyl-, (4S,5R)-(4s,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-hydroxy-5'-isopropyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-oneSCHEMBL531419(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-hydroxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin- 2-one(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-hydroxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one

데이터베이스 식별자

CAS
875550-05-3
PubChem CID
11527411
UNII
K9V5F9ZV6H
Nikkaji
J3.565.351A

물성

구조 계산 물성보충 중

XLogP
8.5
극성 표면적
49.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
5
무거운 원자 수
43

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