Basic information
- CAS
57558-46-0- Standard SMILES
CC[NH+](CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1.[Cl-]- InChIKey
YBNFCHDBXWWVCU-UHFFFAOYSA-N- Molecular formula
- C22H36ClNO2
- Average molar mass
- 382 g/mol
- Monoisotopic mass
- 381.2434571
Overview
See also: Secoverine Hydrochloride (preferred); Secoverine (has active moiety).
Names & identifiers
- Preferred name
- 1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone hydrochloride
- IUPAC
- (4-cyclohexyl-4-oxobutyl)-ethyl-[1-(4-methoxyphenyl)propan-2-yl]azanium chloride
Names & synonyms
UNII-0R7XZP87ZX1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone hydrochlorideNS00126219
Database identifiers
- CAS
57558-46-0- PubChem CID
- 42471
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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