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Substance Name: 5-N-Acetylneuraminic acid-5-bromo-3-indolyl-alpha-ketoside
RN: 64122-65-2
InChIKey: YSCDQQPHGFICPU-YZKZVDITSA-N

Molecular Formula

  • C19-H23-Br-N2-O9

Molecular Weight

  • 503.2997
 
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Names and Synonyms

Name of Substance

  • 5-N-Acetylneuraminic acid-5-bromo-3-indolyl-alpha-ketoside

Synonym

  • BI-Neuac

Systematic Name

  • D-glycero-alpha-D-galacto-2-Nonulopyranosidonic acid, 5-bromo-1H-indol-3-yl 5-(acetylamino)-3,5-dideoxy-

Registry Numbers

CAS Registry Number

  • 64122-65-2

System Generated Number

  • 0064122652

Structure Descriptors

InChI

1S/C19H23BrN2O9/c1-8(24)22-15-12(25)5-19(18(28)29,31-17(15)16(27)13(26)7-23)30-14-6-21-11-3-2-9(20)4-10(11)14/h2-4,6,12-13,15-17,21,23,25-27H,5,7H2,1H3,(H,22,24)(H,28,29)/t12-,13+,15+,16+,17+,19+/m0/s1

InChIKey

YSCDQQPHGFICPU-YZKZVDITSA-N

Smiles

CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2c[nH]c3ccc(Br)cc23)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O