Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Paravallarinol hydrobromide
RN: 29847-80-1
InChIKey: DMJSWWCAOUIXTN-RZKNDPLNSA-N

Molecular Formula

  • C22-H37-N-O2.Br-H

Molecular Weight

  • 428.451
 
* 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

Results Name

  • Paravallarinol hydrobromide

Synonyms

  • 18,20-Dihydroxy-3-beta-methylaminopregn-5-ene hydrobromide
  • 3-beta-Methylaminopregn-5-ene-18,20-diol hydrobromide
  • Paravallarinol hydrobromide

Systematic Names

  • Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrobromide
  • Pregn-5-ene-18,20alpha-diol, 3beta-(methylamino)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 29847-80-1

System Generated Number

  • 0029847801

Molecular Formulas

Molecular Formula

  • C22-H37-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C22-H37-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H37NO2.BrH/c1-14(25)18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24;/h4,14,16-20,23-25H,5-13H2,1-3H3;1H/t14-,16-,17+,18+,19-,20-,21-,22-;/m0./s1

InChIKey

DMJSWWCAOUIXTN-RZKNDPLNSA-N

Smiles

Br.C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)O)[C@@]4(CO)CC[C@H]3[C@@]2(C1)C)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.
mouse LD50 intravenous 45mg/kg (45mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.
mouse LD50 oral 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.