MDL 105,212 hydrochloride

HCID 53462564

기본 정보

표준 SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.Cl
InChIKey
DAYXLOOGUORCMH-UHFFFAOYSA-N
분자식
C34H40Cl3N3O5
평균 분자량
677.1 g/mol
단동위원소 질량
675.203354

이름 및 식별자

우선 이름
MDL 105,212 hydrochloride
IUPAC
1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide;hydrochloride

이름 및 동의어

MDL 105,212 hydrochloride167261-59-8SCHEMBL7465619DAYXLOOGUORCMH-UHFFFAOYSA-N(+)-1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoy1)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl -piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride

데이터베이스 식별자

PubChem CID
53462564

물성

구조 계산 물성

극성 표면적
94.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
45

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