Basic information
- CAS
124-90-3- Standard SMILES
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[NH+](C)CC[C@]314.[Cl-]- InChIKey
MUZQPDBAOYKNLO-RKXJKUSZSA-N- Molecular formula
- C18H22ClNO4
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1237359
Overview
See also: Oxycodone Hydrochloride (preferred); Oxycodone (has active moiety); Naloxone Hydrochloride; Oxycodone Hydrochloride (component of) ... View More ...
Names & identifiers
- Preferred name
- (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one chloride
- IUPAC
- (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one chloride
Database identifiers
- CAS
124-90-3- PubChem CID
- 157442276
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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