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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride
RN: 120465-86-3
InChIKey: ZKTBAIJWFNSJFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N3-O4-S.Cl-H

Molecular Weight

  • 431.982
 
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Names and Synonyms

  • 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 120465-86-3

System Generated Number

  • 0120465863

Molecular Formulas

Molecular Formula

  • C19-H29-N3-O4-S.Cl-H

Molecular Formula Fragments

  • C19-H29-N3-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29N3O4S.ClH/c1-4-5-10-20-11-15-13-21(14-16(12-20)19(15,2)3)27(25,26)18-8-6-17(7-9-18)22(23)24;/h6-9,15-16H,4-5,10-14H2,1-3H3;1H

InChIKey

ZKTBAIJWFNSJFW-UHFFFAOYSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3ccc(cc3)[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4906640,