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Substance Name: 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
RN: 21038-13-1
InChIKey: SSBPLEKEDHPOCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O3.Cl-H

Molecular Weight

  • 321.762
 
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Names and Synonyms

Synonym

  • 7-Nitro-3-(2-(4-pyridyl)ethyl)-3,4-dihydro-1H-2,3-benzoxazine hydrochloride

Systematic Name

  • 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-(2-(4-pyridyl)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 21038-13-1

System Generated Number

  • 0021038131

Molecular Formulas

Molecular Formula

  • C15-H15-N3-O3.Cl-H

Molecular Formula Fragments

  • C15-H15-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15N3O3.ClH/c19-18(20)15-2-1-13-10-17(21-11-14(13)9-15)8-5-12-3-6-16-7-4-12;/h1-4,6-7,9H,5,8,10-11H2;1H

InChIKey

SSBPLEKEDHPOCG-UHFFFAOYSA-N

Smiles

c12c(cc([N+](=O)[O-])cc2)CO[N@@](C1)CCc1cc[n+]cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 261, 1969.