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

HCID 21083157

기본 정보

표준 SMILES
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)N1c1ccc(F)cc1.[Br-]
InChIKey
JCLXUZWNOJDWQK-UHFFFAOYSA-M
분자식
C38H40BrF2N3O3
평균 분자량
704.6 g/mol
단동위원소 질량
703.22211

이름 및 식별자

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

이름 및 동의어

SCHEMBL3876176JCLXUZWNOJDWQK-UHFFFAOYSA-M1-[4-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2- yl}phenoxymethyl)benzyl]-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)benzyl]-4-aza-1-azoniabicyclo[2.2.2]octane bromide

데이터베이스 식별자

PubChem CID
21083157

물성

구조 계산 물성

극성 표면적
53 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
47

관련 반응

8건

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