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Substance Name: Sydnone imine, 3-(4-benzyl-3-phenyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:3)
RN: 24796-57-4
InChIKey: FQBUFTNJUDGKEC-UHFFFAOYSA-M

Molecular Formula

  • C19-H21-N5-O.2Cl-H.3/2H2-O

Molecular Weight

  • 408.331
 
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Names and Synonyms

Synonym

  • 3-(4-Benzyl-3-phenyl-1-piperazinyl)sydnone imine dihydrochloride hydrate

Systematic Name

  • Sydnone imine, 3-(4-benzyl-3-phenyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:3)

Registry Numbers

CAS Registry Number

  • 24796-57-4

System Generated Number

  • 0024796574

Molecular Formulas

Molecular Formula

  • C19-H21-N5-O.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C19-H21-N5-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N5O.2ClH/c20-19-15-25-21-24(19)23-12-11-22(13-16-7-3-1-4-8-16)14-18(23)17-9-5-2-6-10-17;;/h1-10,15,18H,11-14,20H2;2*1H/q+1;;/p-1

InChIKey

FQBUFTNJUDGKEC-UHFFFAOYSA-M

Smiles

o1n[n+](N2[C@@H](C[N@@](CC2)Cc2ccccc2)c2ccccc2)c(N)c1.[ClH-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 280, 1968.