Basic information
- CAS
23095-84-3- Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5- InChIKey
FSUXDJDFTDDUJZ-KBQPJGBKSA-N- Molecular formula
- C17H19NO6S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.0933085
Names & identifiers
- Preferred name
- Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 3-(hydrogen sulfate)
- IUPAC
- [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] hydrogen sulfate
Names & synonyms
Morphine 6-sulfateMorphine 6-O-sulfateMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 3-(hydrogen sulfate)DTXSID20177662RefChem:357409DTXCID8010015323095-84-3morphine-6-sulfate[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] hydrogen sulfateCHEMBL1418SCHEMBL15360143-Hydroxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6alpha-yl hydrogen sulfate
Database identifiers
- CAS
23095-84-3- PubChem CID
- 5484063
- DTXSID
DTXSID20177662- ChEMBL
CHEMBL1418- Nikkaji
- J441.727E
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 704
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Codeine, Morphine
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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