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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 120466-12-8
InChIKey: FXYUFXJLNLGSDU-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-F-N2-O2-S.C4-H6-O6

Molecular Weight

  • 552.6167
 
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Names and Synonyms

  • 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 120466-12-8

System Generated Number

  • 0120466128

Molecular Formulas

Molecular Formula

  • C22-H27-F-N2-O2-S.C4-H6-O6

Molecular Formula Fragments

  • C22-H27-F-N2-O2-S
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27FN2O2S.C4H6O6/c1-22(2)18-13-24(12-17-6-4-3-5-7-17)14-19(22)16-25(15-18)28(26,27)21-10-8-20(23)9-11-21;5-1(3(7)8)2(6)4(9)10/h3-11,18-19H,12-16H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

FXYUFXJLNLGSDU-LREBCSMRSA-N

Smiles

CC1(C2CN(CC1CN(C2)S(=O)(=O)c3ccc(cc3)F)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,