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Substance Name: Tamoxifen [INN:BAN]
RN: 10540-29-1
UNII: 094ZI81Y45
InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

Note

  • One of the SELECTIVE ESTROGEN RECEPTOR MODULATORS with tissue-specific activities. Tamoxifen acts as an anti-estrogen (inhibiting agent) in the mammary tissue, but as an estrogen (stimulating agent) in cholesterol metabolism, bone density, and cell proliferation in the ENDOMETRIUM.

Molecular Formula

  • C26-H29-N-O

Molecular Weight

  • 371.521
 

Classification Codes

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic Agents, Hormonal
  • Bone Density Conservation Agents
  • Drug / Therapeutic Agent
  • Estrogen Antagonists
  • Estrogen Receptor Modulators
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Selective Estrogen Receptor Modulators
  • Tumor Data

Superlist Classification Codes

  • Known to be a Human Carcinogen
  • Overall Carcinogenic Evaluation: Group 1

Names and Synonyms

Name of Substance

  • Tamoxifen [INN:BAN]

MeSH Heading

  • Tamoxifen

Synonyms

  • (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine
  • (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC)
  • 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
  • 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
  • CCRIS 3275
  • Citofen
  • Crisafeno
  • Diemon
  • EC 234-118-0
  • EINECS 234-118-0
  • HSDB 6782
  • ICI 47699
  • Istubol
  • Nolvadex
  • NSC 180973
  • Oncomox
  • Retaxim
  • Soltamox
  • Tamizam
  • Tamoxen
  • Tamoxifen
  • Tamoxifen (Z)
  • Tamoxifene
  • Tamoxifene [INN-French]
  • Tamoxifeno
  • Tamoxifeno [INN-Spanish]
  • Tamoxifenum
  • Tamoxifenum [INN-Latin]
  • trans-Tamoxifen
  • UNII-094ZI81Y45
  • Valodex

Systematic Names

  • Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-
  • Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-
  • Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
  • Tamoxifen

Superlist Names

  • Tamoxifen
  • Tamoxifen and its salts

Registry Numbers

CAS Registry Number

  • 10540-29-1

FDA UNII

  • 094ZI81Y45

Related Registry Number

  • 54965-24-1 (citrate)

System Generated Number

  • 0010540291

Structure Descriptors

InChI

InChI=1S/C26H29NO/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/h5-18H,4,19-20H2,1-3H3/b26-25-

InChIKey

NKANXQFJJICGDU-QPLCGJKRSA-N

Smiles

CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 575mg/kg (575mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1533, 1990.
mouse LD50 oral 2150mg/kg (2150mg/kg)   Drugs of the Future. Vol. 9, Pg. 186, 1984.
rat LD50 intraperitoneal 700mg/kg (700mg/kg)   Drugs of the Future. Vol. 9, Pg. 186, 1984.
rat LD50 oral 4100mg/kg (4100mg/kg)   Drugs of the Future. Vol. 9, Pg. 186, 1984.
women TDLo oral 5600ug/kg/1W- (5.6mg/kg) SKIN AND APPENDAGES (SKIN): BREAST: OTHER British Medical Journal. Vol. 291, Pg. 1172, 1985.
women TDLo unreported 200ug/kg/D (0.2mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA		 Cancer Treatment Reports. Vol. 60, Pg. 1431, 1976.
women TDLo unreported 5600ug/kg/2W- (5.6mg/kg) MUSCULOSKELETAL: JOINTS

BLOOD: NORMOCYTIC ANEMIA		 British Journal of Rheumatology. Vol. 33, Pg. 583, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
log P (octanol-water) 6.300 (none)   EST
Atmospheric OH Rate Constant 2.41E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.