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Substance Name: KRN 7000
RN: 158021-47-7
UNII: WX671898JF
InChIKey: VQFKFAKEUMHBLV-BYSUZVQFSA-N

Note

  • Has an alpha-galactosylceramide structure.

Molecular Formula

  • C50-H99-N-O9

Molecular Weight

  • 858.3301
 

Classification Codes

  • Adjuvants, Immunologic
  • Antineoplastic Agents
  • Immunologic Factors
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Names and Synonyms

Name of Substance

  • KRN 7000

Synonyms

  • CCRIS 8968
  • KRN-7000
  • KRN7000
  • RGI-2001
  • UNII-WX671898JF

Systematic Name

  • Hexacosanamide, N-(1-((alpha-D-galactopyranosyloxy)methyl)-2,3-dihdyroxyheptadecyl)-, (1S-(1R*,2R*,3S*))-

Registry Numbers

CAS Registry Number

  • 158021-47-7

FDA UNII

  • WX671898JF

System Generated Number

  • 0158021477

Structure Descriptors

InChI

1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1

InChIKey

VQFKFAKEUMHBLV-BYSUZVQFSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC