Basic information
- CAS
84203-09-8- Standard SMILES
CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1- InChIKey
KGVYOGLFOPNPDJ-UHFFFAOYSA-N- Molecular formula
- C25H25N3O
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.19976243
Overview
Trifenagrel is a small molecule drug. Trifenagrel has a monoisotopic molecular weight of 383.2 Da.
Names & identifiers
- Preferred name
- Trifenagrel
- IUPAC
- 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N,N-dimethylethanamine
- English name
- Trifenagrel
- Molecular formula
- C25H25N3O
- Molecular weight
- 383.49
Names & synonyms
Trifenagrel84203-09-8TrifenagrelumBW 325UBW-325U59X5ME2O06DTXSID902331282-(o-(2-(Dimethylamino)ethoxy)phenyl)-4,5-diphenylimidazole2-(2-(2-dimethylaminoethoxy)phenyl)-4,5-diphenylimidazoletifenagrel2-[O-[2-(Dimethylamino)ethoxy]phenyl]-4,5-diphenylimidazoleRefChem:933396
Show more names
BW325UEthanamine, 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N,N-dimethyl-
DTXCID901556192-[2-(4,5-diphenyl-1h-imidazol-2-yl)phenoxy]-n,n-dimethylethanamineEthanamine, 2-(2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy)-N,N-dimethyl-UNII-59X5ME2O06Trifenagrelum [Latin]Trifenagrel [USAN:INN]TRIFENAGREL [INN]Trifenagrel (USAN/INN)
Database identifiers
- CAS
84203-09-8- PubChem CID
- 72164
- DTXSID
DTXSID90233128- ChEMBL
CHEMBL2107711- UNII
- 59X5ME2O06
- Nikkaji
- J33.159G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 584.7 · 584.7±50.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 11.56 · 11.56±0.12(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 59 X5ME2O06 · 59X5ME2O06
Chemistry & industry
Applications
UsesAntithrombotic.
Suppliers5 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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