Desethyl tamoxifen, (Z)-
Basic information
- CAS
97151-11-6- Standard SMILES
CN(C)CCOc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1- InChIKey
PXOWMFOUQCRAAG-CLCOLTQESA-N- Molecular formula
- C24H25NO
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.19361442
Names & identifiers
- Preferred name
- Desethyl tamoxifen, (Z)-
- IUPAC
- 2-[4-[(Z)-1,2-diphenylethenyl]phenoxy]-N,N-dimethylethanamine
Names & synonyms
Desethyl tamoxifen, (Z)-GS0CPH5FJTUNII-GS0CPH5FJTNCI-180973, (Z)-2-(4-((Z)-1,2-Diphenylethenyl)phenoxy)-N,N-dimethylethanamineEthanamine, 2-(4-(1,2-diphenylethenyl)phenoxy)-N,N-dimethyl-, (Z)-97151-11-6RefChem:200447(Z)-desethyl tamoxifenSCHEMBL20210969Q27279244
Database identifiers
- CAS
97151-11-6- PubChem CID
- 72201073
- UNII
- GS0CPH5FJT
- EC Number
- 641-647-4
- Nikkaji
- J1.903.346E
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 410
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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