alpha-Hydroxytamoxifen-N-oxide
Basic information
- CAS
102203-04-3- Standard SMILES
CC(O)/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1- InChIKey
UPGHFQMAOIISKB-QPLCGJKRSA-N- Molecular formula
- C26H29NO3
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.21474379
Names & identifiers
- Preferred name
- alpha-Hydroxytamoxifen-N-oxide
- IUPAC
- 2-[4-[(E)-3-hydroxy-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
Names & synonyms
alpha-Hydroxytamoxifen-N-oxide102203-04-3RefChem:318422NS00116978
Database identifiers
- CAS
102203-04-3- PubChem CID
- 72201074
- Nikkaji
- J584.790G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 538
Chemistry & industry
Pharmacology
Metabolism/MetabolitesAlpha-hydroxy-tamoxifen N-oxide is a known human metabolite of Tamoxifen N-oxide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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