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Substance Name: Pyrocatechol, 4-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-, dihydrobromide, hydrate
RN: 102366-99-4
InChIKey: RCJYWGKKZFNUNB-UHFFFAOYSA-N

Molecular Formula

  • C19-H24-N2-O2.2Br-H.H2-O

Molecular Weight

  • 492.2492
 
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Names and Synonyms

Synonym

  • 1-o-Tolyl-4-(3,4-dihydroxyphenethyl)piperazine dihydrobromide monohydrate

Systematic Name

  • Pyrocatechol, 4-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-, dihydrobromide, hydrate

Registry Numbers

CAS Registry Number

  • 102366-99-4

System Generated Number

  • 0102366994

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O2.2Br-H.H2-O

Molecular Formula Fragments

  • Br-H
  • C19-H24-N2-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H24N2O2.2BrH.H2O/c1-15-4-2-3-5-17(15)21-12-10-20(11-13-21)9-8-16-6-7-18(22)19(23)14-16;;;/h2-7,14,22-23H,8-13H2,1H3;2*1H;1H2

InChIKey

RCJYWGKKZFNUNB-UHFFFAOYSA-N

Smiles

N1(CCN(CCc2cc(c(cc2)O)O)CC1)c1c(cccc1)C.Br.Br.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11001,