Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Toremifene citrate [USAN]
RN: 89778-27-8
UNII: 2498Y783QT
InChIKey: IWEQQRMGNVVKQW-OQKDUQJOSA-N

Note

  • A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.

Molecular Formula

  • C26-H28-Cl-N-O.C6-H8-O7

Molecular Weight

  • 598.088
 

Classification Codes

  • Anti-Estrogen
  • Antineoplastic
  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Toremifene citrate [USAN]

Synonyms

  • (Z)-4-Chloro-1,2-diphenyl-1-(4-(2-(N,N-dimethylamino)ethoxy)phenyl)-1-butene citrate (1:1)
  • 2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)
  • CCRIS 6719
  • Fareston
  • FC 1157a
  • FC-1157a
  • NK 622
  • NSC 613680
  • Toremifene citrate
  • UNII-2498Y783QT

Systematic Names

  • Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Toremifene citrate

Registry Numbers

CAS Registry Number

  • 89778-27-8

FDA UNII

  • 2498Y783QT

Related Registry Number

  • 89778-26-7 (Parent)

System Generated Number

  • 0089778278

Molecular Formulas

Molecular Formula

  • C26-H28-Cl-N-O.C6-H8-O7

Molecular Formula Fragments

  • C26-H28-Cl-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

InChIKey

IWEQQRMGNVVKQW-OQKDUQJOSA-N

Smiles

C(=C(/c1ccccc1)CCCl)(\c1ccc(OCCN(C)C)cc1)c1ccccc1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral > 2gm/kg (2000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 351, 1992.
rat LD50 intraperitoneal 520mg/kg (520mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

KIDNEY, URETER, AND BLADDER: INCONTINENCE
Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 351, 1992.
rat LD50 oral 3gm/kg (3000mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

KIDNEY, URETER, AND BLADDER: INCONTINENCE
Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 351, 1992.