N-Methoxycarbonyl Normorphine
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Basic information
- CAS
1261084-18-7- Standard SMILES
COC(=O)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5- InChIKey
VZGNAZRFVZVYHM-DRDPLEBGSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12632271
Names & identifiers
- Preferred name
- N-Methoxycarbonyl Normorphine
- IUPAC
- methyl (4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate
- English name
- N-Methoxycarbonyl Normorphine
- Molecular formula
- C18H19NO5
- Molecular weight
- 329.35
Names & synonyms
N-Methoxycarbonyl Normorphine1261084-18-7CHEMBL4168822methyl (4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylateDTXSID10676013BDBM50370401Methyl (5alpha,6alpha)-3,6-dihydroxy-7,8-didehydro-4,5-epoxymorphinan-17-carboxylateMethyl 3,6alpha-dihydroxy-5alpha-7,8-didehydro-4,5-epoxymorphinan-17-carboxylateVZGNAZRFVZVYHM-DRDPLEBGSA-NMorphinan-17-carboxylic acid, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-, methyl ester, (5α,6α)-
Database identifiers
- CAS
1261084-18-7- PubChem CID
- 46782151
- DTXSID
DTXSID10676013- ChEMBL
CHEMBL4168822
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Boiling point
- 530.4 · 530.4±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- solubility
- soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- pka
- 9.41 · 9.41±0.40(Predicted)
- form
- Solid
- color
- Pale Brown
Chemistry & industry
Applications
UsesNormorphine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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