Basic information
- CAS
536748-46-6- Standard SMILES
CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1- InChIKey
QQBKAVAGLMGMHI-WIYYLYMNSA-N- Molecular formula
- C24H22ClFN4O4
- Average molar mass
- 484.9 g/mol
- Monoisotopic mass
- 484.1313611
Overview
Eribaxaban is a member of the class of pyrrolidines that is (2R,4R)-N1-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade. It has a role as an anticoagulant, a serine protease inhibitor and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It is a secondary carboxamide, a pyridone, a member of pyrrolidines, a member of ureas, a member of monochlorobenzenes and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- Eribaxaban
- IUPAC
- (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
- English name
- Eribaxaban
- Molecular formula
- C24H22ClFN4O4
- Molecular weight
- 484.9072832
Names & synonyms
eribaxabanEribaxaban (USAN)Eribaxaban [USAN]eribaxabanumEribaxaban [USAN:INN]UNII-5FCH6YDY7Z5FCH6YDY7ZPD 348292PD 348,292PD-348292ERIBAXABAN [INN]PD-348
Show more names
PD348292PD0348292PD 0348292)Eribaxaban (PD-0348292(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
ERIBAXABAN [WHO-DD]CHEBI:140420DTXSID60201915PD 348N-(4-Chlorophenyl)-N-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidiine-1,2-dicarboxamide(2R,4R)-N(1)-(4-chlorophenyl)-N(2)-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide(2R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide(2R,4R)-N(1)-(4-chlorophenyl)-N(2)-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
Database identifiers
- CAS
536748-46-6- PubChem CID
- 11634458
- DTXSID
DTXSID60201915
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 832
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 5 FCH6YDY7Z · 5FCH6YDY7Z
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationEndogenous factors and drugs that inhibit or block the activity of FACTOR XA.
Applications
UsesEribaxaban (PD-0348292) is an orally active and selective FXa inhibitor with a Ki value of 0.32 nM. Eribaxaban reduces thrombus formation[1][2].
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
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Compound notes
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