Mefenidil Fumarate
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Basic information
- CAS
83153-38-2- Standard SMILES
Cc1[nH]c(-c2ccccc2)nc1CC#N.O=C([O-])/C=C/C(=O)[O-]- InChIKey
BACLFYJGAMBEIX-WLHGVMLRSA-N- Molecular formula
- C16H13N3O4-2
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Overview
See also: Mefenidil (has active moiety).
Names & identifiers
- Preferred name
- Mefenidil Fumarate
- IUPAC
- (E)-but-2-enedioate;2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
- English name
- Mefenidil fumarate
- Molecular formula
- C16H15N3O4
- Molecular weight
- 313.31
Names & synonyms
Mefenidil fumarateMefenidil fumarate [USAN]5QH19BF6YGMcN-2378-46UNII-5QH19BF6YG83153-38-2McN 2378465-Methyl-2-phenylimidazole-4-acetonitrile fumarate (1:1)1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, (E)-2-butanedioate (1:1)Mefenidil fumarate (USAN)RefChem:156247McN 2378-46
Show more names
Q27262747
Database identifiers
- CAS
83153-38-2- PubChem CID
- 6440686
- ChEMBL
CHEMBL2107136- UNII
- 5QH19BF6YG
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- -2
- Complexity
- 357
Physicochemical properties
- FDA UNII
- 5 QH19BF6YG · 5QH19BF6YG
Chemistry & industry
Applications
UsesVasodilator (cerebral).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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