Basic information
- CAS
125-28-0- Standard SMILES
COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341- InChIKey
RBOXVHNMENFORY-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Overview
See also: Aspirin; Caffeine; Dihydrocodeine Bitartrate (annotation moved to); Dihydrocodeine (annotation moved to); Dihydrocodeine Bitartrate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Didrate
- IUPAC
- 9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Names & synonyms
HydrocodinParacodineDidrateCodeine, dihydro-(-)-Dihydrocodeine7,8-Dihydrocodeine6.alpha.-HydrocodolParacodin6-Hydroxy-3-methoxy-N-methyl-4,5-epoxymorphinanDihydrokodeinNadeineNovicodin
Show more names
Morphinan-6.alpha.-ol, 4,5.alpha.-epoxy-3-methoxy-17-methyl-Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-RapocodinCodeine, dihydro3-methoxy-17-methyl-4,5-epoxymorphinan-6-olNSC 2313196?-Hydrocodol4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol
Database identifiers
- CAS
125-28-0- PubChem CID
- 3063
- DTXSID
DTXSID80859235- ChEMBL
CHEMBL4765015
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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