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Substance Name: Defoslimod [INN]
RN: 171092-39-0
UNII: HC3530GGGG
InChIKey: UUVVKHSZRKZOGM-CUECXTGJSA-N

Molecular Formula

  • C52-H100-N2-O20-P2

Molecular Weight

  • 1149.3308
 
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Names and Synonyms

Name of Substance

  • Defoslimod
  • Defoslimod [INN]
  • OM 174 lipid

Synonyms

  • 2-Deoxy-6-O-(2-deoxy-2-((R)-3-hydroxytetradecanamido)-beta-D-glucopyranosyl)-2-((R)-3-hydroxytetradecanamido)-alpha-D-glucopyranose 1,6'-bis(dihydrogen phosphate) 2'(3)-laurate
  • Defoslimod
  • OM 174
  • UNII-HC3530GGGG

Systematic Name

  • 2-Deoxy-6-o-(2-deoxy-2-((R)-3-hydroxytetradecanamido)-beta-D-glucopyranosyl)-2-((R)-3-hydroxytetradecanamido)-alpha-D-glucopyranose 1,6'-bis(dihydrogen phosphate) 2'(3)-laurate.

Registry Numbers

CAS Registry Number

  • 171092-39-0

FDA UNII

  • HC3530GGGG

System Generated Number

  • 0171092390

Structure Descriptors

InChI

1S/C53H102N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-39(57)34-44(58)54-47-42(38-71-76(64,65)66)73-43(49(61)50(47)62)37-70-53-48(51(63)52(41(36-56)74-53)75-77(67,68)69)55-45(59)35-40(32-29-26-23-20-17-14-11-8-5-2)72-46(60)33-30-27-24-21-18-15-12-9-6-3/h39-43,47-53,56-57,61-63H,4-38H2,1-3H3,(H,54,58)(H,55,59)(H2,64,65,66)(H2,67,68,69)/t39-,40-,41-,42+,43-,47+,48-,49-,50-,51-,52-,53-/m1/s1

InChIKey

UUVVKHSZRKZOGM-CUECXTGJSA-N

Smiles

O1[C@H](COP(=O)(O)O)[C@@H]([C@@H](O)[C@@H](O)[C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](CO)O1)OP(O)(O)=O)O)NC(C[C@H](CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O)NC(C[C@@H](CCCCCCCCCCC)O)=O