Tamoxifen

Synonyms: tamoxifen, "trans-Tamoxifen", "Crisafeno", "Soltamox", "Tamoxifene", "Diemon", "Tamoxifenum", "Tamoxifeno", "Tamizam", "Istubol", "Oncomox", "Tamoxen", "Citofen", "Valodex", "Retaxim", "Tamoxifen (Z)", "1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene".

Source: Tamoxifen is a treatment of breast cancer.

Identifiers:

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CAS Number: 10540-29-1
PubChem ID: 2733526
InChiKey: NKANXQFJJICGDU-QPLCGJKRSA-N
Canonical SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

Structural Properties:

Molecular Formula: C₂₆H₂₉NO
Molecular Weight: 371.5

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 28

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Evidence Supporting This Chemical as an Emerging Contaminant

Zhang, Z., Hibberd, A., Zhou, J. ( 2 0 0 8 ). Analysis of emerging contaminants in sewage effluent and river water: Comparison between spot and passive sampling. analytica chimica acta 607, 37?44.

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2D-structure

3D-structure