Basic information
- CAS
125926-17-2- Standard SMILES
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1- InChIKey
FFYNAVGJSYHHFO-UHFFFAOYSA-N- Molecular formula
- C24H31NO6
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.21513771
Overview
Sarpogrelate is a hemisuccinate and a stilbenoid.
Names & identifiers
- Preferred name
- Sarpogrelate
- IUPAC
- 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
- English name
- Sarpogrelate
- Molecular formula
- C24H31NO6
- Molecular weight
- 429.51
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 585.9 · 585.9±50.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.17(Predicted)
- FDA UNII
- 19 P708E787 · 19P708E787
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Sarpogrelate
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Chemistry & industry
Pharmacology
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.
Applications
UsesSarpogrelate (MCI-9042) is a new, specific orally active 5-HT2 receptor antagonist, Sarpogrelate increases platelet aggregation and has hemostasis effect, and can be used for the research of Buerger’s disease[1].
Suppliers37 total
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海尺水药物研究有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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