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Tamoxifen citrate

CAT: 1410-M14987-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M14987-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tamoxifen (ICI-46474) is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen.
CAS Number
54965-24-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
563.65
Molecular Formula
C32H37NO8
Notes
Research use only, not for human use.
Receptor
ER

Chemical Information

Tamoxifen Citrate

Tamoxifen Citrate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number54965-24-1
PubChem CID2733525
IUPAC Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC32H37NO8
Molecular Weight563.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count41
Formal Charge0
Complexity690
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C26H29NO.C6H8O7/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)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChIKey
FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Chemical Structure
2D Structure
2D structure of Tamoxifen Citrate
CAS: 54965-24-1
CID: 2733525
Formula: C32H37NO8
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass563.25191714
Monoisotopic Mass563.25191714
Topological Polar Surface Area145 Ų
Heavy Atom Count41
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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