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Substance Name: Mipragoside [INN]
RN: 131129-98-1
UNII: IOR159KL0H
InChIKey: NBMVYETVBIIWFF-AACOHXQBSA-N

Molecular Formula

  • C76-H137-N3-O31

Molecular Weight

  • 1588.9083
 
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Names and Synonyms

Name of Substance

  • Mipragoside
  • Mipragoside [INN]

Synonyms

  • Mipragoside
  • Mipragosido
  • Mipragosido [INN-Spanish]
  • Mipragosidum
  • Mipragosidum [INN-Latin]
  • UNII-IOR159KL0H

Systematic Names

  • N-(II(sup 3)-N-Acetylneuraminosylgangliotetraosyl)ceramide, isopropyl ester
  • Octadecanamide, N-((1S,2R,3E)-1-(((O-(N-acetyl-1-(1-methylethyl)-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-
  • Octadecanamide, N-(1-(((O-(N-acetyl-1-(1-methylethyl)-alpha-neuraminosyl)-(2-3)-O-(O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4))-O-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, (R-(R*,S*-(E)))-

Registry Numbers

CAS Registry Number

  • 131129-98-1

FDA UNII

  • IOR159KL0H

System Generated Number

  • 0131129981

Structure Descriptors

InChI

1S/C76H137N3O31/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-55(90)79-47(48(87)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)43-100-72-64(97)62(95)66(53(41-83)104-72)106-74-65(98)70(110-76(75(99)101-44(3)4)37-49(88)56(77-45(5)85)69(109-76)58(91)50(89)38-80)67(54(42-84)105-74)107-71-57(78-46(6)86)68(60(93)52(40-82)102-71)108-73-63(96)61(94)59(92)51(39-81)103-73/h33,35,44,47-54,56-74,80-84,87-89,91-98H,7-32,34,36-43H2,1-6H3,(H,77,85)(H,78,86)(H,79,90)/b35-33+/t47-,48+,49-,50+,51+,52+,53+,54+,56+,57+,58+,59-,60-,61-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71-,72+,73-,74-,76-/m0/s1

InChIKey

NBMVYETVBIIWFF-AACOHXQBSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(=O)C)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O5)[C@H](O)[C@H](O)CO)C(=O)OC(C)C)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC