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Substance Name: 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-5-nitro-, hydrochloride
RN: 52400-79-0
InChIKey: CWDIFCKZWHDKEG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O5.Cl-H

Molecular Weight

  • 330.766
 
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Names and Synonyms

Synonym

  • 2-Methyl-2-(2-morpholinoethyl)-5-nitro-1,3-benzodioxole hydrochloride

Systematic Name

  • 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-5-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 52400-79-0

System Generated Number

  • 0052400790

Molecular Formulas

Molecular Formula

  • C14-H18-N2-O5.Cl-H

Molecular Formula Fragments

  • C14-H18-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H18N2O5.ClH/c1-14(4-5-15-6-8-19-9-7-15)20-12-3-2-11(16(17)18)10-13(12)21-14;/h2-3,10H,4-9H2,1H3;1H

InChIKey

CWDIFCKZWHDKEG-UHFFFAOYSA-N

Smiles

c12c(O[C@@](O1)(CC[NH+]1CCOCC1)C)ccc(c2)[N+](=O)[O-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.