Basic information
- CAS
96153-56-9- Standard SMILES
Cc1ncc(-c2ccc(NC=NC(C)C)cc2)[nH]1- InChIKey
FXJAOWANXXJWGJ-UHFFFAOYSA-N- Molecular formula
- C14H18N4
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.15314659
Overview
Bisfentidine is a small molecule drug. The usage of the INN stem '-tidine' in the name indicates that Bisfentidine is a histamine- H2-receptor antagonist, cimetidine derivative. Bisfentidine has a monoisotopic molecular weight of 242.15 Da.
Names & identifiers
- Preferred name
- Bisfentidine
- IUPAC
- N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-N'-propan-2-ylmethanimidamide
- English name
- Bisfentidine
- Molecular formula
- C14H18N4
- Molecular weight
- 242.324
Names & synonyms
BisfentidineBisfentidine [INN]96153-56-9bisfentidinaUNII-72393Z9635DTXSID0024214572393Z9635N-Isopropyl-N'-(p-(2-methylimidazol-4-yl)phenyl)formamidinebisfentidinumRefChem:120391DTXCID00164636N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-N'-propan-2-ylmethanimidamide
Show more names
DA-5047SCHEMBL534409orb2564502CHEMBL1742426SCHEMBL10602773SCHEMBL10604176SCHEMBL14246879HY-160979
Database identifiers
- CAS
96153-56-9- PubChem CID
- 189869
- DTXSID
DTXSID00242145- ChEMBL
CHEMBL1742426- UNII
- 72393Z9635
- Nikkaji
- J900.905A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- FDA UNII
- 72393 Z9635 · 72393Z9635
Chemistry & industry
Applications
UsesBisfentidine is an H2 receptor antagonist, Bisfentidine can block the H2 receptor on the cells of the stomach wall, and reduce the secretion of stomach acid. Bisfentidine binds to cytochrome P-450 in liver microsomes and affects drug metabolism. Bisfentidine can be used in the study of metabolic processes of drugs, lipid peroxidation processes and peptic ulcers diseases[1].
Suppliers1 total
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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