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Substance Name: Trodusquemine [USAN:INN]
RN: 186139-09-3
UNII: KKC12PIF16
InChIKey: WUJVPODXELZABP-FWJXURDUSA-N

Note

  • A spermine-cholesterol adduct which causes reversible suppression of food and fluid intake in mammals resulting in profound weight loss, not associated with other signs or symptoms of illness, and which exhibits antidiabetic properties in genetically obese mice.

Molecular Formula

  • C37-H72-N4-O5-S

Molecular Weight

  • 685.0648
 

Classification Code

  • Treatment of Medically Significant Obesity
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Names and Synonyms

Name of Substance

  • 3-N-1(Spermine)-7, 24-dihydroxy-5-cholestane 24-sulfate
  • Trodusquemine [USAN:INN]

Synonyms

  • (24R)-3beta-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-7alpha-hydroxy-5alpha-cholestan-24-yl hydrogen sulfate
  • MSI-1436
  • Trodusquemine
  • UNII-KKC12PIF16

Systematic Name

  • Cholestane-7,24-diol, 3-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)-

Registry Numbers

CAS Registry Number

  • 186139-09-3

FDA UNII

  • KKC12PIF16

System Generated Number

  • 0186139093

Structure Descriptors

InChI

1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1

InChIKey

WUJVPODXELZABP-FWJXURDUSA-N

Smiles

CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(=O)(=O)O