기본 정보
- CAS
125926-17-2- 표준 SMILES
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1- InChIKey
FFYNAVGJSYHHFO-UHFFFAOYSA-N- 분자식
- C24H31NO6
- 평균 분자량
- 429.5 g/mol
- 단동위원소 질량
- 429.21513771
개요
Sarpogrelate is a hemisuccinate and a stilbenoid.
이름 및 식별자
- 우선 이름
- Sarpogrelate
- IUPAC
- 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
- 영어명
- Sarpogrelate
- 분자식
- C24H31NO6
- 분자량
- 429.51
이름 및 동의어
Sarpogrelate125926-17-2sarpogrelato19P708E787DTXSID70483284-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acidsarpogrelatum4-((1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic acid4-(1-dimethylamino-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)propan-2-yl)oxy-4-oxobutanoic acid4-[1-dimethylamino-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acidRefChem:181463DTXCID2028303
이름 더 보기
SagrelateSapogrelateSarpogrelate USP/EP/BP(+/-)-2-(dimethylamino)-1-{(o-(m-methoxyphenethyl)phenoxy)methyl}ethyl hydrogen succinate4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoicaci4-[1-(dimethylaminomethyl)-2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethoxy]-4-keto-butyric acid4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxo-butanoic acidButanedioic acid, 1-[2-(diMethylaMino)-1-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]Methyl]ethyl] ester
2-(dimethylamino)-1-((2-(3-methoxyphenyl)phenoxy)methyl)ethyl hydrogensuccinate hydrochloridemono-(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl)succinate hydrochlorideSarpogrelate [INN]4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acidSarpogrelate (INN)CHEMBL541829UNII-19P708E787NCGC00167489-01
데이터베이스 식별자
- CAS
125926-17-2- PubChem CID
- 5160
- DTXSID
DTXSID7048328- ChEMBL
CHEMBL52939- ChEBI
CHEBI:135697- UNII
- 19P708E787
- Nikkaji
- J322.421J
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 85.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 540
물리화학적 성질
- 끓는 점
- 585.9 · 585.9±50.0 °C(Predicted)
- 밀도
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.25 · 4.25±0.17(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Sarpogrelate
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
공급사37 곳
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