(2E)-N-[2-(1-β-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-2-propenamide

CAS Registry Number®

5853-02-1
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CAS Name

(2E)-N-[2-(1-β-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-2-propenamide

Molecular Formula

C21H27N3O6

Molecular Mass

417.46

Cite this Page

(2E)-N-[2-(1-β-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-2-propenamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5853-02-1 (retrieved 2024-05-15) (CAS RN: 5853-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226.5-228.0 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=CSFQQZOIHVWGMN-BBAXEOEJSA-N

SMILES

O[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)N2C=C(CCN(C(/C=C/C3=CC=CC=C3)=O)C)N=C2

Canonical SMILES

O=C(C=CC=1C=CC=CC1)N(C)CCC=2N=CN(C2)C3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • 2-Propenamide, N-[2-(1-β-D-glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-, (2E)-
  • Cinnamamide, N-[2-(1-β-D-glucopyranosylimidazol-4-yl)ethyl]-N-methyl-
  • Casimiroedine
  • 2-Propenamide, N-[2-(1-β-D-glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-, (E)-
  • (2E)-N-[2-(1-β-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl]-N-methyl-3-phenyl-2-propenamide

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Deleted or Replaced CAS Registry Numbers

1363-32-2

CAS INSIGHTSTM
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