Ifetroban Sodium
sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate
Molecular Identity
Ifetroban Sodium
sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate
PubChem CID: 23663994
2D Structure
Properties
C25H31N2NaO5
Molecular Formula
462.50
Molecular Weight
g/mol
462.2131
Exact Mass
Da
104
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
650
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)[O-])O3.[Na+]Isomeric SMILES
SMILES: CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)[O-])O3.[Na+]Synonyms(20)
Ifetroban sodium156715-37-6Ifetroban sodium [USAN]BMS-180291-02UNII-48IJA0E92C48IJA0E92CIfetroban sodium (USAN)Benzenepropanoic acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, monosodium salt, (1S-(exo,exo))-Sodium o-(((1S,2R,3S,4R)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamateSodium O-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamateRefChem:147734Ifetroban (sodium)sodium;3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoateBMS-180291 sodium saltorb1687118
Data from PubChem (NCBI)
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