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Substance Name: Casimiroedine
RN: 5853-02-1
UNII: 577E0U1P0H
InChIKey: CSFQQZOIHVWGMN-BBAXEOEJSA-N

Molecular Formula

  • C21-H27-N3-O6

Molecular Weight

  • 417.459
 
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Names and Synonyms

Name of Substance

  • Casimiroedine

Synonyms

  • Casimiroedin
  • Casimiroedine
  • Cassimiroedine
  • NSC 140860
  • UNII-577E0U1P0H

Systematic Names

  • 2-Propenamide, N-(2-(1-beta-D-glucopyranosyl-1H-imidazol-4-yl)ethyl)-N-methyl-3-phenyl-, (E)- (9CI)
  • 4-(2-(N-Methyl-N-trans-cinnamoylamino)ethyl)-1-beta-D-glucopyranosylimidazole
  • Cinnamamide, N-(2-(1-beta-D-glucopyranosylimidazol-4-yl)ethyl)-N-methyl- (8CI)

Registry Numbers

CAS Registry Number

  • 5853-02-1

FDA UNII

  • 577E0U1P0H

System Generated Number

  • 0005853021

Structure Descriptors

InChI

1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1

InChIKey

CSFQQZOIHVWGMN-BBAXEOEJSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@@H](O)[C@H]1CO)O)n1cnc(c1)CCN(C(\C=C\c1ccccc1)=O)C