2-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
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기본 정보
- CAS
1109276-24-5- 표준 SMILES
CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCC(O)C2)ccc1C(=O)O- InChIKey
OBMAZJVHPAVADF-UHFFFAOYSA-N- 분자식
- C27H36N2O5
- 평균 분자량
- 468.6 g/mol
개요
3'-Hydroxy Repaglinide(Mixture of Diastereomers) is a member of piperidines.
이름 및 식별자
- 우선 이름
- 2-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
- IUPAC
- 2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
- 영어명
- 3'-Hydroxy Repaglinide-d5 (Mixture of DiastereoMers)
- 분자식
- C27H36N2O5
- 분자량
- 468.58514
이름 및 동의어
874908-14-22-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic Acid2-Ethoxy-4-(2-((1-(2-(3-hydroxy-1-piperidinyl)phenyl)-3-methylbutyl)amino)-2-oxoethyl)benzoic acidRefChem:2603293'-Hydroxy Repaglinide2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acidhydroxyrepaglinide2-ethoxy-4-(2-((1-(2-(3-hydroxypiperidin-1-yl)phenyl)-3-methylbutyl)amino)-2-oxoethyl)benzoic acid2-Ethoxy-4-[2-({1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl}amino)-2-oxoethyl]benzoic acid3-Hydroxy RepaglinideRepaglinide Impurity 455S3W6B6J9B
이름 더 보기
3'-Hydroxy Repaglinide-d5 (Mixture of DiastereoMers)2-(Ethoxy-d5)-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-Methylbutyl]aMino]-2-oxoethyl]
orb1989696SCHEMBL30555982DTXSID00675959CHEBI:183883ARD10602MFCD16878816AKOS030255737FH182219
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 657
화학 및 산업
약리 정보
Metabolism/Metabolites3'-Hydroxy Repaglinide(Mixture of Diastereomers) is a known human metabolite of repaglinide.
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
용도A labelled metabolite of Repaglinide (R144500).
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