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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(phenylmethyl)-7-(2-thienylsulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 120466-49-1
InChIKey: PBYVSXMJDHGPTD-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O2-S2.C4-H6-O6

Molecular Weight

  • 540.6548
 
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Names and Synonyms

Synonym

  • 7-Benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120466-49-1

System Generated Number

  • 0120466491

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2-S2.C4-H6-O6

Molecular Formula Fragments

  • C20-H26-N2-O2-S2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2S2.C4H6O6/c1-20(2)17-12-21(11-16-7-4-3-5-8-16)13-18(20)15-22(14-17)26(23,24)19-9-6-10-25-19;5-1(3(7)8)2(6)4(9)10/h3-10,17-18H,11-15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

PBYVSXMJDHGPTD-LREBCSMRSA-N

Smiles

CC1(C2CN(CC1CN(C2)S(=O)(=O)c3cccs3)Cc4ccccc4)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

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