Benzhydrocodone Hydrochloride
Basic information
- CAS
1379679-42-1- Standard SMILES
COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@H]4[C@@H](C2)N(C)CC[C@]314.Cl- InChIKey
VVCUIDHKAHHSAN-RFIUKBLMSA-N- Molecular formula
- C25H26ClNO4
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.155036
Overview
See also: Hydrocodone (has active moiety); Acetaminophen; Benzhydrocodone Hydrochloride (component of).
Names & identifiers
- Preferred name
- Benzhydrocodone Hydrochloride
- IUPAC
- [(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride
Names & synonyms
Benzhydrocodone hydrochlorideUNII-I894QAU7FJI894QAU7FJBenzhydrocodone hydrochloride [USAN]KP2011379679-42-1Benzhydrocodone hydrochloride (USAN)KP-201Hydrochloride of 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6-yl benzoateBENZHYDROCODONE HYDROCHLORIDE [WHO-DD]BENZHYDROCODONE HYDROCHLORIDE [ORANGE BOOK]Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-benzoate, hydrochloride (1:1), (5alpha)-
Show more names
MORPHINAN-6-OL, 6,7-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, 6-BENZOATE, HYDROCHLORIDE (1:1), (5.ALPHA.)-RefChem:118126HYDROCHLORIDE OF 6,7-DIDEHYDRO-4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6-YL BENZOATEDTXSID901027933D10692Q27280568[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride
Database identifiers
- CAS
1379679-42-1- PubChem CID
- 72736244
- DTXSID
DTXSID901027933
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 731
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Related reactions
0 records
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Compound notes
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