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Substance Name: Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-butyl-7'-((3-chlorophenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
RN: 120466-16-2
InChIKey: ZMJCKHJRNNOWHD-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H33-Cl-N2-O2-S.C4-H6-O6

Molecular Weight

  • 575.1191
 
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Names and Synonyms

  • Spiro(cyclohexane-1,9'-(3,7)diazabicyclo(3.3.1)nonane), 3'-butyl-7'-((3-chlorophenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 120466-16-2

System Generated Number

  • 0120466162

Molecular Formulas

Molecular Formula

  • C22-H33-Cl-N2-O2-S.C4-H6-O6

Molecular Formula Fragments

  • C22-H33-Cl-N2-O2-S
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C22H33ClN2O2S.C4H6O6/c1-2-3-12-24-14-18-16-25(28(26,27)21-9-7-8-20(23)13-21)17-19(15-24)22(18)10-5-4-6-11-22;5-1(3(7)8)2(6)4(9)10/h7-9,13,18-19H,2-6,10-12,14-17H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

ZMJCKHJRNNOWHD-LREBCSMRSA-N

Smiles

CCCCN1CC2CN(CC(C1)C23CCCCC3)S(=O)(=O)c4cccc(c4)Cl.[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,