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Substance Name: 3,8-Diazabicyclo(3.2.1)octane-3-propanimine, N-((((4-methoxyphenyl)amino)carbonyl)oxy)-8-(2-nitrobenzoyl)-alpha-phenyl-, monohydrochloride
RN: 97670-11-6
InChIKey: ABLYOHHTJIUOPM-PYDDSSFOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H31-N5-O6.Cl-H

Molecular Weight

  • 594.0648
 
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Names and Synonyms

  • 3,8-Diazabicyclo(3.2.1)octane-3-propanimine, N-((((4-methoxyphenyl)amino)carbonyl)oxy)-8-(2-nitrobenzoyl)-alpha-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 97670-11-6

System Generated Number

  • 0097670116

Molecular Formulas

Molecular Formula

  • C30-H31-N5-O6.Cl-H

Molecular Formula Fragments

  • C30-H31-N5-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H31N5O6.ClH/c1-40-25-15-11-22(12-16-25)32-30(37)41-31-18-17-27(21-7-3-2-4-8-21)33-19-23-13-14-24(20-33)34(23)29(36)26-9-5-6-10-28(26)35(38)39;/h2-12,15-16,18,23-24,27H,13-14,17,19-20H2,1H3,(H,32,37);1H/b31-18+;

InChIKey

ABLYOHHTJIUOPM-PYDDSSFOSA-N

Smiles

C(=O)(N1C2CN(CC1CC2)C(c1ccccc1)C/C=N/OC(=O)Nc1ccc(cc1)OC)c1c([N+](=O)[O-])cccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 86, 1985.