Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)
RN: 120465-65-8
InChIKey: HSPPJCWSHPJYLD-QGZACVBFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H68-N4-O4-S2.3C4-H6-O6

Molecular Weight

  • 1207.4114
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)

Registry Numbers

CAS Registry Number

  • 120465-65-8

System Generated Number

  • 0120465658

Molecular Formulas

Molecular Formula

  • C42-H68-N4-O4-S2.3C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C42-H68-N4-O4-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H34N2O2S.3C4H6O6/c2*1-6-7-10-22-12-18-14-23(15-19(13-22)21(18,4)5)26(24,25)20-11-16(2)8-9-17(20)3;3*5-1(3(7)8)2(6)4(9)10/h2*8-9,11,18-19H,6-7,10,12-15H2,1-5H3;3*1-2,5-6H,(H,7,8)(H,9,10)/t;;3*1-,2-/m..111/s1

InChIKey

HSPPJCWSHPJYLD-QGZACVBFSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3cc(ccc3C)C.CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)c3cc(ccc3C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[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 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4906640,