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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 120465-61-4
InChIKey: MKWICSIGVVIZDO-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N2-O2-S.C4-H6-O6

Molecular Weight

  • 528.663
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 120465-61-4

System Generated Number

  • 0120465614

Molecular Formulas

Molecular Formula

  • C21-H34-N2-O2-S.C4-H6-O6

Molecular Formula Fragments

  • C21-H34-N2-O2-S
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C21H34N2O2S.C4H6O6/c1-4-5-12-22-14-19-16-23(17-20(15-22)21(19,2)3)26(24,25)13-11-18-9-7-6-8-10-18;5-1(3(7)8)2(6)4(9)10/h6-10,19-20H,4-5,11-17H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

MKWICSIGVVIZDO-LREBCSMRSA-N

Smiles

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)CCc3ccccc3.[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,