Basic information
- CAS
131575-03-6- Standard SMILES
CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5- InChIKey
DENICFHULARDRG-WEZQJLTASA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Overview
structure given in first source; has high affinity for the naloxone binding sites in rat brain
Names & identifiers
- Preferred name
- 14-Methoxymetopon
- IUPAC
- (4R,4aS,7aR,12bR)-9-hydroxy-4a-methoxy-3,7a-dimethyl-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
- English name
- 14-methoxymetopon
- Molecular formula
- C19H23NO4
- Molecular weight
- 329.39
Names & synonyms
14-Methoxymetopon131575-03-6Morphinan-6-one, 4,5-epoxy-3-hydroxy-14-methoxy-5,17-dimethyl-, (5alpha)-RefChem:78662CHEMBL326684DTXSID50927273N68Z8CG6FLSCHEMBL1231312BDBM50142700PDSP2_001435Q45495843-Hydroxy-14-methoxy-5,17-dimethyl-4,5-epoxymorphinan-6-one
Show more names
Morphinan-6-one, 4,5-epoxy-3-hydroxy-14-methoxy-5,17-dimethyl-, (5α)-(4R,4aS,7aR,12bR)-9-hydroxy-4a-methoxy-3,7a-dimethyl-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
3-Hydroxy-14-methoxy-5beta,17-dimethyl-4,5-epoxymorphinan-6-one(5alpha)-4,5-Epoxy-3-hydroxy-14-methoxy-5,17-dimethylmorphinan-6-one
Database identifiers
- CAS
131575-03-6- PubChem CID
- 5486940
- DTXSID
DTXSID50927273- ChEMBL
CHEMBL326684
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 596
Experimental & physicochemical properties
LogP1.12
Physicochemical properties
- Boiling point
- 480.7 · 480.7±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.14 · 9.14±0.60(Predicted)
Chemistry & industry
Suppliers1 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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