Salutaridinol
Basic information
- CAS
3271-79-2- Standard SMILES
COC1=C[C@]23CCN(C)[C@@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1O- InChIKey
LLSADFZHWMEBHH-NJSLBKSFSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Names & identifiers
- Preferred name
- Salutaridinol
- IUPAC
- (1S,9S,12S)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diol
- English name
- Salutaridinol
- Molecular formula
- C19H23NO4
- Molecular weight
- 329.39
Names & synonyms
3271-79-2SalutaridinolDTXSID20420084CHEBI:26600RefChem:931192DTXCID403709313,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-4,7-diol5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol(1S,9S,12S)-4,13-Dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diolSalutaridinol (1.0mg/ml in Acetonitrile)3,6-Dimethoxy-17-methyl-9alpha,13alpha-5,6,8,14-tetradehydromorphinan-4,7alpha-diolSalutaridinol II
Show more names
5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methylmorphinan-4,7α-diol(7S)-5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methylmorphinan-7-ol
Database identifiers
- CAS
3271-79-2- PubChem CID
- 440592
- ChEMBL
CHEMBL255882
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Melting point
- 132 · 132-140 °C
- Boiling point
- 535.6 · 535.6±50.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Very Slightly)
- form
- Solid
- pka
- 9.79 · 9.79±0.60(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesSalutaridinol is an metabolic intermediate in the biosynthesis of morphine (M652290), a principle alkaloid of opium.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…