N-Methylnaloxone
Basic information
- CAS
73232-50-5- Standard SMILES
C=CC[N+]1(C)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5- InChIKey
PCSQOABIHJXZMR-MGQKVWQSSA-O- Molecular formula
- C20H24NO4+
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.17053325
Overview
quaternary derivative of naloxone
Names & identifiers
- Preferred name
- N-Methylnaloxone
- IUPAC
- (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
- English name
- methylnaloxonium
- Molecular formula
- C20H24NO4
- Molecular weight
- 342.41
Names & synonyms
MethylnaloxoniumMethylnaloxoneN-Methylnaloxone73232-50-5R4755TU8QXNaloxone MBnaloxone methoiodidealoxone methylbromideNaloxone Methobromidenaloxone methyl iodidenaloxone methyl bromideN-Methylnaloxone Bromide
Show more names
4,5α-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinanium(5α)-4,5-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinan-17-ium(5R)-4,5α-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinan-17-ium
methyl naloxonium chlorideRefChem:163862ORG-10908MLS001334009Morphinanium, 4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-, (5alpha)-SMR000875254Org 10908SCHEMBL4490102
Database identifiers
- CAS
73232-50-5- PubChem CID
- 5486183
- DTXSID
DTXSID90993977
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 637
Physicochemical properties
- pka
- 8.62 · 8.620±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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