Desethyl methyl tamoxifen, (Z)-
Basic information
- CAS
15917-50-7- Standard SMILES
C/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1- InChIKey
YBZBQYHSLRTDHL-QQTULTPQSA-N- Molecular formula
- C25H27NO
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.20926449
Names & identifiers
- Preferred name
- Desethyl methyl tamoxifen, (Z)-
- IUPAC
- 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
- English name
- TaMoxifen
- Molecular formula
- C25H27NO
- Molecular weight
- 357.49
Names & synonyms
15917-50-7Desethyl methyl tamoxifen, (Z)-Ethanamine, 2-(4-(1,2-diphenyl-1-propenyl)phenoxy)-N,N-dimethyl-, (Z)-UNII-9D8W3B5C6R9D8W3B5C6R(Z)-2-(4-(1,2-Diphenyl-1-propenyl)phenoxy)-N,N-dimethylethanamine2-(4-((Z)-1,2-DIPHENYLPROP-1-ENYL)PHENOXY)-N,N-DIMETHYLETHANAMINEthanamine, 2-[4-(1,2-diphenyl-1-propenyl)phenoxy]-N,N-dimethyl-, (Z)-RefChem:2004452-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine(Z)-desethyl methyl tamoxifenEthanamine,2-[4-(1,2-diphenyl-1-propenyl)phenoxy]-N,N-dimethyl-,(Z)-
Show more names
Tamoxifen citrate impurity D(Z)?-Desethyl methyl tamoxifen2-[4-[(Z)-1,2-Diphenylprop-1-enyl]pTamoxifen Citrate EP Impurity D as Z-Isomer(Z)-2-[4-(1,2-Diphenyl-1-propenyl)phenoxy]-N,N-dimethylethanamineEthanamine, 2-[4-(1,2-diphenyl-1-propenyl)phenoxy]-N,N-dimethyl-, (Z)- (9CI)
(Z)-2-(4-(1,2-diphenylprop-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amineCHEMBL93023Tamoxifen Citrate - Impurity DSCHEMBL17164697197251-11-9Q27272393Tamoxifen Citrate Imp. D (EP) Z-Isomer; Tamoxifen Imp. D (EP) Z-Isomer; 2-[4-[(Z)-1,2-Diphenylprop-1-enyl]phenoxy]-N,N-dimethylethanamine; Tamoxifen Citrate Impurity D as Z-Isomer; Tamoxifen Impurity D as Z-Isomer
Database identifiers
- CAS
15917-50-7- PubChem CID
- 3036702
- ChEMBL
CHEMBL93023- UNII
- 9D8W3B5C6R
- EC Number
- 641-650-0
- Nikkaji
- J496.768B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 469.9 · 469.9±33.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.28(Predicted)
- FDA UNII
- 9 D8W3B5C6R · 9D8W3B5C6R
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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