Thebaine 6-O-Methyl-d3
Basic information
- CAS
18161-81-4- Standard SMILES
[2H]C([2H])([2H])OC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5- InChIKey
FQXXSQDCDRQNQE-IDPIOUNWSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17097377
Names & identifiers
- Preferred name
- Thebaine 6-O-Methyl-d3
- IUPAC
- (4S,7aR,12bS)-9-methoxy-3-methyl-7-(trideuteriomethoxy)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
- English name
- Thebaine
- Molecular formula
- C19H21NO3
- Molecular weight
- 311.38
Names & synonyms
Thebaine 6-O-Methyl-d318161-81-4DTXSID60858468(5alpha,9alpha)-3-Methoxy-17-methyl-6-[(~2~H_3_)methyloxy]-6,7,8,14-tetradehydro-4,5-epoxymorphinan3-Methoxy-17-methyl-6-[(~2~H_3_)methyloxy]-5alpha,9alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinanThebaine-6-O-(Methyl-d3)(4R,7aR,12bS)-9-methoxy-3-methyl-7-(trideuteriomethoxy)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Database identifiers
- CAS
18161-81-4- PubChem CID
- 71752500
- DTXSID
DTXSID60858468
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 585
Chemistry & industry
Applications
UsesLabelled Thebaine
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…