Cychlorphine
Basic information
- CAS
6449-60-1- Standard SMILES
CC(c1ccc(Cl)cc1)N1CCC(n2c(=O)n(CCC#N)c3ccccc32)CC1- InChIKey
SWWAVNFEFVMDAG-UHFFFAOYSA-N- Molecular formula
- C23H25ClN4O
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1716891
Names & identifiers
- Preferred name
- Cychlorphine
- IUPAC
- 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile
Names & synonyms
6449-60-1CychlorphineN-Propionitrile chlorphineBU32WQH7CWorb3210798DTXSID901383034PD2128281-Benzimidazolinepropionitrile, 3-[1-(p-chloro-alpha-methylbenzyl)-4-piperidyl]-2-oxo-1H-Benzimidazole-1-propanenitrile, 3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidinyl]-2,3-dihydro-2-oxo-3-(3-{1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanenitrile3-[1-[1-(4-Chlorophenyl)ethyl]-4-piperidinyl]-2,3-dihydro-2-oxo-1H-benzimidazole-1-propanenitrile
Database identifiers
- CAS
6449-60-1- PubChem CID
- 201662
- DTXSID
DTXSID901383034- UNII
- BU32WQH7CW
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Narcotic Analgesics
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Related reactions
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Compound notes
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