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Substance Name: Monophosphoryl lipid A
RN: 88598-53-2
UNII: Q2VF73396U
InChIKey: YGPZYYDTPXVBRA-RTDBHSBRSA-N

Note

  • Detoxified lipid A derivative; CRX-675 is an aqueous formulation.

Classification Codes

  • Adjuvants, Immunologic
  • Immunologic Factors

Molecular Formula

  • C94-H177-N2-O22-P

Molecular Weight

  • 1718.3983
 
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Names and Synonyms

Results Name

  • Monophosphoryl lipid A

Name of Substance

  • Hexaacyl monophosphoryl lipid A

Synonyms

  • Compound 504
  • LA 15PH
  • Monophosphoryl lipid A
  • TLC 3
  • UNII-Q2VF73396U

Systematic Name

  • alpha-D-glucopyranose, 2-deoxy-6-O-(2-deoxy-2-(((3R)-1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amido)-3-O-((3R)-1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 3-((3R)-3-hydroxytetradecanoate)

Registry Numbers

CAS Registry Number

  • 88598-53-2

FDA UNII

  • Q2VF73396U

Other Registry Numbers

  • 103426-88-6
  • 114420-33-6
  • 126924-61-6

System Generated Number

  • 0088598532

Structure Descriptors

InChI

1S/C94H177N2O22P/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)113-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)117-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)112-83(102)67-61-55-49-43-36-30-24-18-12-6)94(115-79(73-97)90(92)118-119(108,109)110)111-74-80-89(106)91(116-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(93(107)114-80)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106-107H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,108,109,110)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93+,94-/m1/s1

InChIKey

YGPZYYDTPXVBRA-RTDBHSBRSA-N

Smiles

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O