Rimonabant iminium ion cytotoxic metabolite
Basic information
- CAS
1798844-99-1- Standard SMILES
Cc1c(C(=O)N[N+]2=CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1- InChIKey
XHVWFCIXCFGBLU-UHFFFAOYSA-O- Molecular formula
- C22H20Cl3N4O+
- Average molar mass
- 462.8 g/mol
- Monoisotopic mass
- 461.070269
Names & identifiers
- Preferred name
- Rimonabant iminium ion cytotoxic metabolite
- IUPAC
- 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(2,3,4,5-tetrahydropyridin-1-ium-1-yl)pyrazole-3-carboxamide
Names & synonyms
2LS8CVE2X7UNII-2LS8CVE2X7Rimonabant iminium ion cytotoxic metabolite1798844-99-1Pyridinium, 1-(((5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)carbonyl)amino)-2,3,4,5-tetrahydro-
Database identifiers
- CAS
1798844-99-1- PubChem CID
- 163203545
- UNII
- 2LS8CVE2X7
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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