Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hexestrol diphosphate sodium [JAN]
RN: 101952-86-7
InChIKey: QVTPDQKKWFAKFO-GNXQHMNLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-O8-P2.Na

Molecular Weight

  • 452.3097
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Hexestrol diphosphate sodium [JAN]

Synonyms

  • Hexestrol diphosphate sodium
  • Sodium hexestrol diphosphate

Systematic Name

  • Phenol, 4,4'-(1,2-diethylethylene)di-, bis(dihydrogen phosphate), sodium salt, meso-

Registry Numbers

CAS Registry Number

  • 101952-86-7

System Generated Number

  • 0101952867

Molecular Formulas

Molecular Formula

  • C18-H24-O8-P2.Na

Molecular Formula Fragments

  • C18-H24-O8-P2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H24O8P2.Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/t17-,18+;

InChIKey

QVTPDQKKWFAKFO-GNXQHMNLSA-M

Smiles

CC[C@H](c1ccc(cc1)OP(=O)(O)O)[C@@H](CC)c2ccc(cc2)OP(=O)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.
mouse LD50 oral 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.
mouse LD50 subcutaneous > 3gm/kg (3000mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.
rat LD50 oral 2gm/kg (2000mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.
rat LD50 subcutaneous 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 744, 1982.