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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-(phenylsulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 120466-51-5
InChIKey: SQJGYKZYXPYIKN-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O2-S.C4-H6-O6

Molecular Weight

  • 500.6094
 
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Names and Synonyms

  • 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-(phenylsulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 120466-51-5

System Generated Number

  • 0120466515

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O2-S.C4-H6-O6

Molecular Formula Fragments

  • C19-H30-N2-O2-S
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O2S.C4H6O6/c1-4-5-11-20-12-16-14-21(15-17(13-20)19(16,2)3)24(22,23)18-9-7-6-8-10-18;5-1(3(7)8)2(6)4(9)10/h6-10,16-17H,4-5,11-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

SQJGYKZYXPYIKN-LREBCSMRSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3ccccc3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

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