Tamoxifen-d5
Basic information
- CAS
157698-32-3- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1- InChIKey
NKANXQFJJICGDU-FUYVPVGLSA-N- Molecular formula
- C26H29NO
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.25629828
Names & identifiers
- Preferred name
- Tamoxifen-d5
- IUPAC
- N,N-dimethyl-2-[4-[(Z)-3,3,4,4,4-pentadeuterio-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
- English name
- Tamoxifen-ethyl-d5
- Molecular formula
- C26H24D5NO
- Molecular weight
- 376.55
Names & synonyms
Tamoxifen-d5157698-32-3Tamoxifen-?d5Tamoxifen-ethyl-d5(E/Z)-Tamoxifen-d5Tamoxifen-d5 (ethyl-d5)(Z)-2-(4-(1,2-Diphenyl-1-butenyl-3,3,4,4,4-d5)phenoxy)-N,N-dimethylethanamineN,N-dimethyl-2-[4-[(Z)-3,3,4,4,4-pentadeuterio-1,2-diphenylbut-1-enyl]phenoxy]ethanamine(Z)-Tamoxifen-d5C26H29NOTamoxifen Impurity 15orb1990282
Show more names
D5-Tamoxifen[2H5]-Tamoxifentrans-Tamoxifen-?d5[2H5]- (E/Z)-Tamoxifen(Z)-1-[4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL]-1,2-DIPHENYL-1-BUTENE-3,3,4,4,4-D5
SCHEMBL29816971DTXSID801361152HY-13757ASMFCD07369649AKOS040739817Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl-3,3,4,4,4-d5)phenoxy)-N,N-dimethyl-, (Z)-DA-67913MS-26118
Database identifiers
- CAS
157698-32-3- PubChem CID
- 3036736
- DTXSID
DTXSID801361152- Nikkaji
- J595.221B
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Melting point
- 95 · 95-97°C
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml,DMSO: · DMF: 20 mg/ml,DMSO: 2 mg/ml,Ethanol: 20 mg/ml
- form
- A solid
- color
- White to off-white
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 350 · H350-H360
- Precautionary statements
- 201 · P201-P202-P280-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H350-H360
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Applications
UsesA labelled, nonsteroidal estrogen antagonist of interest in the treatment of some forms of breast cancer
UsesLabelled Tamoxifen (T006000). A nonsteroidal estrogen antagonist of interest in the treatment of some forms of breast cancer. Tamoxifen is a protein kinase C inhibitor, and induces apoptosis in human malignant glioma cell lines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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