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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-
RN: 120465-89-6
InChIKey: OAQDFURJOIZXJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-Cl-N3-O4-S

Molecular Weight

  • 429.9662
 
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Names and Synonyms

Synonym

  • 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120465-89-6

System Generated Number

  • 0120465896

Structure Descriptors

InChI

1S/C19H28ClN3O4S/c1-4-5-8-21-10-14-12-22(13-15(11-21)19(14,2)3)28(26,27)16-6-7-17(20)18(9-16)23(24)25/h6-7,9,14-15H,4-5,8,10-13H2,1-3H3

InChIKey

OAQDFURJOIZXJF-UHFFFAOYSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

Toxicity

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