Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 17-(N,N-Diisopropylcarbamoyl)estra-1,3,5(10)-triene-3-sulfonic acid
RN: 131267-92-0
InChIKey: QZADTSPYJZFWLE-VJZQHCJMSA-M

Classification Codes

  • 5-alpha Reductase Inhibitors
  • Enzyme Inhibitors
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C25-H37-N-O4-S.K

Molecular Weight

  • 485.7264
 
* 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

  • 17-(N,N-Diisopropylcarbamoyl)estra-1,3,5(10)-triene-3-sulfonic acid

Synonym

  • DETS

Systematic Name

  • Estra-1,3,5(10)-triene-3-sulfonic acid, 17-((bis(1-methylethyl)amino)carbonyl)-, potassium salt, (17beta)-

Registry Numbers

CAS Registry Number

  • 131267-92-0

System Generated Number

  • 0131267920

Molecular Formulas

Molecular Formula

  • C25-H37-N-O4-S.K

Molecular Formula Fragments

  • C25-H37-N-O4-S
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H37NO4S.K/c1-15(2)26(16(3)4)24(27)23-11-10-22-21-8-6-17-14-18(31(28,29)30)7-9-19(17)20(21)12-13-25(22,23)5;/h7,9,14-16,20-23H,6,8,10-13H2,1-5H3,(H,28,29,30);/q;+1/p-1/t20-,21-,22+,23-,25+;/m1./s1

InChIKey

QZADTSPYJZFWLE-VJZQHCJMSA-M

Smiles

CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)S(=O)(=O)[O-])C.[K+]