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Substance Name: CRX-526
RN: 245515-64-4
UNII: 8NLO017HHA
InChIKey: PRIXXGNJDNLMBH-DPGPRPECSA-N

Note

  • Aminoalkyl-glucosaminide-phosphate; lipid A-mimetic with anti-inflammatory properties.

Molecular Formula

  • C69-H127-N2-O19-P

Molecular Weight

  • 1319.7313
 
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Names and Synonyms

Name of Substance

  • CRX-526

Synonyms

  • CRX-526
  • Hexanoic acid, (1R)-1-(2-(((1S)-1-carboxy-2-((2-deoxy-3-O-((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)-2-(((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl)oxy)ethyl)amino)-2-oxoethyl)dodecyl ester
  • UNII-8NLO017HHA

Registry Numbers

CAS Registry Number

  • 245515-64-4

FDA UNII

  • 8NLO017HHA

System Generated Number

  • 0245515644

Structure Descriptors

InChI

1S/C69H127N2O19P/c1-7-13-19-22-25-28-31-34-40-43-54(85-61(75)46-37-16-10-4)49-59(73)70-57(68(79)80)53-84-69-65(71-60(74)50-55(86-62(76)47-38-17-11-5)44-41-35-32-29-26-23-20-14-8-2)67(66(58(52-72)88-69)90-91(81,82)83)89-64(78)51-56(87-63(77)48-39-18-12-6)45-42-36-33-30-27-24-21-15-9-3/h54-58,65-67,69,72H,7-53H2,1-6H3,(H,70,73)(H,71,74)(H,79,80)(H2,81,82,83)/t54-,55-,56-,57+,58-,65-,66-,67-,69-/m1/s1

InChIKey

PRIXXGNJDNLMBH-DPGPRPECSA-N

Smiles

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC