β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-carbamimidate, hydrobromide (1:1)

CAS Registry Number®

40591-65-9

CAS Name

β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-carbamimidate, hydrobromide (1:1)

Molecular Formula

C15H22N2O9S.BrH

Cite this Page

β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-carbamimidate, hydrobromide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40591-65-9 (retrieved 2024-11-22) (CAS RN: 40591-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H/t10-,11-,12+,13-,14+;/m1./s1

InChIKey

InChIKey=QNVDHERXTIAGPT-SXQUUHMTSA-N

SMILES

O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](SC(=N)N)[C@@H]1OC(C)=O.Br

Canonical SMILES

Br.O=C(OCC1OC(SC(=N)N)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-carbamimidate, hydrobromide (1:1)
  • β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-carbamimidate, monohydrobromide
  • Pseudourea 2-β-D-glucopyranosyl-2-thio-, tetraacetate, hydrobromide
  • S-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)isothiourea hydrobromide
  • NSC 409734

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