cis-alpha-Acetoxytamoxifen
Basic information
- CAS
205924-33-0- Standard SMILES
CC(=O)OC(C)/C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1- InChIKey
WPNNUCSYTLOQFN-BYYHNAKLSA-N- Molecular formula
- C28H31NO3
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.23039385
Names & identifiers
- Preferred name
- cis-alpha-Acetoxytamoxifen
- IUPAC
- [(Z)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-yl] acetate
Names & synonyms
cis-alpha-Acetoxytamoxifen205924-33-0Benzeneethanol, beta-((4-(2-(dimethylamino)ethoxy)phenyl)phenylmethylene)-alpha-methyl-, acetate (ester), (Z)-
Database identifiers
- CAS
205924-33-0- PubChem CID
- 3036715
- Nikkaji
- J947.262B
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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