Nafagrel
Basic information
- CAS
97901-21-8- Standard SMILES
O=C(O)c1ccc2c(c1)CCC(Cn1ccnc1)C2- InChIKey
VJJHOPPXRPHVCA-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Overview
structure given in first source
Names & identifiers
- Preferred name
- Nafagrel
- IUPAC
- 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
- English name
- nafagrel
- Molecular formula
- C15H16N2O2
- Molecular weight
- 256.3
Names & synonyms
Nafagrel97901-21-8Nafagrelum98PDQ9OL4VSR-96325SR 96325ARefChem:1643966-(1-imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidNafagrel [INN]6-((1H-Imidazol-1-yl)methyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidNafagrelum [INN-Latin]6-[(1H-Imidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Show more names
2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-5,6,7,8-Tetrahydro-6-[(1H-imidazol-1-yl)methyl]naphthalene-2-carboxylic acid
UNII-98PDQ9OL4Vorb1741282SCHEMBL6570453CHEMBL1189780DTXSID70869308(+-)-5,6,7,8-Tetrahydro-6-(imidazol-1-ylmethyl)-2-naphthoic acid6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidT68199
Database identifiers
- CAS
97901-21-8- PubChem CID
- 65851
- DTXSID
DTXSID70869308- ChEMBL
CHEMBL1189780- UNII
- 98PDQ9OL4V
- Nikkaji
- J324.304D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- FDA UNII
- 98 PDQ9OL4V · 98PDQ9OL4V
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesAnticoagulant; antifibrinolytic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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