Dabigatran metabolite M324
Basic information
- CAS
1015167-27-7- Standard SMILES
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)O)ccc21- InChIKey
PLWQWQUVUDJPFA-UHFFFAOYSA-N- Molecular formula
- C17H17N5O2
- Average molar mass
- 323.35 g/mol
- Monoisotopic mass
- 323.1382248
Names & identifiers
- Preferred name
- Dabigatran metabolite M324
- IUPAC
- 2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxylic acid
Names & synonyms
Dabigatran metabolite M324K37YZW4JU4BIBR1151UNII-K37YZW4JU41015167-27-71H-Benzimidazole-5-carboxylic acid, 2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-Dabigatran Impurity 136SCHEMBL5970306Dabigatran Etexilate Impurity 129Dabigatran metabolite M324 (BIBR1151)2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1H-benzo[d]imidazole-5-carboxylic acid
Database identifiers
- CAS
1015167-27-7- PubChem CID
- 69624070
- UNII
- K37YZW4JU4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Dabigatran Etexilate
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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