1-[4'-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]4-oxoazetidin-2-yl}phenoxymethyl)biphenyl-4-ylmethyl]-4-aza-1-azoniabicyclo[2.2.2]octane bromide

HCID 21083159

기본 정보

표준 SMILES
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(-c4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)cc2)N1c1ccc(F)cc1.[Br-]
InChIKey
QJJCSDQJHLBCAS-UHFFFAOYSA-M
분자식
C44H44BrF2N3O3
평균 분자량
780.7 g/mol
단동위원소 질량
779.25341

이름 및 식별자

우선 이름
1-[4'-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]4-oxoazetidin-2-yl}phenoxymethyl)biphenyl-4-ylmethyl]-4-aza-1-azoniabicyclo[2.2.2]octane bromide
IUPAC
4-[4-[[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one bromide

이름 및 동의어

SCHEMBL3873746QJJCSDQJHLBCAS-UHFFFAOYSA-M1-[4'-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}phenoxymethyl)biphenyl-4-ylmethyl]-4-aza-1-azoniabicyclo[2.2.2]octane bromide1-[4'-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]4-oxoazetidin-2-yl}phenoxymethyl)biphenyl-4-ylmethyl]-4-aza-1-azoniabicyclo[2.2.2]octane bromide

데이터베이스 식별자

PubChem CID
21083159

물성

구조 계산 물성

극성 표면적
53 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
12
무거운 원자 수
53

관련 반응

4건

연결된 노트

불러오는 중…