α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)

CAS Registry Number®

160369-85-7
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CAS Name

α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)

Molecular Formula

C19H22BrClN2O9.Na

Cite this Page

α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=160369-85-7 (retrieved 2024-04-25) (CAS RN: 160369-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/t10-,11+,15+,16+,17+,19+;/m0./s1

InChIKey

InChIKey=IZESFRHTHSKBEU-GNZCRVNMSA-N

SMILES

O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])C=2C=3C(NC2)=CC=C(Br)C3Cl.[Na]

Canonical SMILES

[Na].O=C(O)C1(OC2=CNC=3C=CC(Br)=C(Cl)C23)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1

Other Names for this Substance

  • α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)
  • D-glycero-α-D-galacto-2-Nonulopyranosidonic acid, 5-bromo-4-chloro-1H-indol-3-yl 5-(acetylamino)-3,5-dideoxy-, monosodium salt
  • α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, monosodium salt

Deleted or Replaced CAS Registry Numbers

1825317-64-3

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