Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
Basic information
- CAS
467-14-1- Standard SMILES
COc1ccc2c3c1OC1C(O)CC=C4C(C2)N(C)CCC431- InChIKey
NNDKZTBFZTWKLA-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Overview
See also: Neopine (annotation moved to).
Names & identifiers
- Preferred name
- Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
- IUPAC
- 9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Names & synonyms
NEOPINE, HYDROBROMIDE.beta.-CodeineMorphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-b-CodeineSCHEMBL679478SCHEMBL29497085Morphinan-6.alpha.-ol, 8,14-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-NNDKZTBFZTWKLA-UHFFFAOYSA-N8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, 9CI8,14-Didehydro-4,5.alpha.-epoxy-3-methoxy-17-methylmorphinan-6.alpha.-ol
Database identifiers
- CAS
467-14-1- PubChem CID
- 101685
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 520
Experimental & physicochemical properties
Melting Point127.5 - 127.8 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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