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Basic information
- Standard SMILES
[2H]C([2H])([2H])N1CC[C@@]23C4=CC=C(OC)[C@@H]2Oc2c(OC)ccc(c23)C[C@@H]41- InChIKey
FQXXSQDCDRQNQE-KGFIEQRLSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 314.3993 g/mol
- Monoisotopic mass
- 314.17097377
Names & identifiers
- Preferred name
- (5alpha,9alpha)-3,6-Dimethoxy-17-(~2~H_3_)methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan
- IUPAC
- 3,6-Dimethoxy-17-(~2~H_3_)methyl-5alpha,9alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinan
- English name
- Thebaine
- Molecular formula
- C19H21NO3
- Molecular weight
- 311.38
Names & synonyms
[2H3]-ThebaineThebaine-N-(Methyl-d3)FQXXSQDCDRQNQE-FKFMHWNSSA-NThebaine-N-(methyl-d3) (1mg/ml in Acetonitrile)Thebaine-N-(methyl-d3) (1.0 mg/mL in Acetonitrile)
Database identifiers
- CAS
782491-54-7- PubChem CID
- 71752499
- DTXSID
DTXSID00858467
Properties
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Orange to Tan
Chemistry & industry
Applications
UsesLabelled Thebaine
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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