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Tamoxifen N-Oxide

CAT: 0572-TRC-T006095-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T006095-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75504-34-6
Synonyms
Tamoxifen N-Oxide
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC\C(=C(/c1ccccc1)\c2ccc(OCC[N+](C)(C)[O-])cc2)\c3ccccc3
Molecular Formula
C26 H29 N O2
Molecular Weight
387.51
InChI
InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-
Additionnal Information
IUPAC name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

tamoxifen N-oxide

Tamoxifen N-oxide is a tertiary amine oxide resulting from the formal oxidation of the amino group of tamoxifen. It has a role as a metabolite and an anti-estrogen. It is a tertiary amine oxide and an aromatic ether. It is functionally related to a tamoxifen. It derives from a hydride of a stilbene.

CAS Number75504-34-6
PubChem CID3033895
IUPAC Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
Molecular FormulaC26H29NO2
Molecular Weight387.5
XLogP6.6
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity507
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey
YAASNACECBQAFW-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of tamoxifen N-oxide
CAS: 75504-34-6
CID: 3033895
Formula: C26H29NO2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass387.219829168
Monoisotopic Mass387.219829168
Topological Polar Surface Area27.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FT27997-01Tamoxifen N-oxide
sc-208415Tamoxifen-N-oxide
HY-133010RTamoxifen N-oxide (Standard)
T0875-40Tamoxifen-N-oxide ((Z) -2-[4- (1,2-Diphenyl-1-butenyl) phenoxy]-N, N-dimethylethanamine-N-oxide)
MBS6018466-01Tamoxifen-N-oxide ((Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine-N-oxide)
CS-T-89909N, N-Didesmethyl Tamoxifen
CS-T-88640N-Desmethyl Tamoxifen Hydrochloride
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