BCIN

CAS Registry Number®

153248-52-3
No image available.

CAS Name

BCIN

Molecular Formula

C19H22BrClN2O9

Molecular Mass

537.74

Cite this Page

BCIN.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153248-52-3 (retrieved 2024-06-27) (CAS RN: 153248-52-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22BrClN2O9/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=YYWCAOZKVRMNIQ-QZUCQFSHSA-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

Canonical SMILES

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)-
  • D-glycero-α-D-galacto-2-Nonulopyranosidonic acid, 5-bromo-4-chloro-1H-indol-3-yl 5-(acetylamino)-3,5-dideoxy-
  • N-Acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-α-neuraminic acid
  • BCIN

Deleted or Replaced CAS Registry Numbers

1372146-65-0, 1373554-16-5, 1421769-33-6, 1825317-63-2