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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride
RN: 120465-85-2
InChIKey: NJTWFDKERIBCCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-F3-N2-O2-S.Cl-H

Molecular Weight

  • 454.982
 
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Names and Synonyms

  • 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride

Registry Numbers

CAS Registry Number

  • 120465-85-2

System Generated Number

  • 0120465852

Molecular Formulas

Molecular Formula

  • C20-H29-F3-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C20-H29-F3-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29F3N2O2S.ClH/c1-4-5-9-24-11-16-13-25(14-17(12-24)19(16,2)3)28(26,27)18-8-6-7-15(10-18)20(21,22)23;/h6-8,10,16-17H,4-5,9,11-14H2,1-3H3;1H

InChIKey

NJTWFDKERIBCCM-UHFFFAOYSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3cccc(c3)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4906640,