Basic information
- CAS
13764-49-3- Standard SMILES
CCCC(C)(O)C1C[C@@]23C=CC1(OC)C1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5.Cl- InChIKey
JNHPUZURWFYYHW-NCEBQUJSSA-N- Molecular formula
- C25H34ClNO4
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.2176363
Names & identifiers
- Preferred name
- 7-(2-Hydroxypentan-2-yl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-ol--hydrogen chloride (1/1)
- IUPAC
- (1R,2S,6R)-19-(2-hydroxypentan-2-yl)-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol;hydrochloride
Names & synonyms
7-(2-Hydroxypentan-2-yl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
13764-49-3- PubChem CID
- 61677
- DTXSID
DTXSID00160254
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 772
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Related reactions
0 records
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Compound notes
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