N6-Benzoyladenosine

CAS Registry Number®

4546-55-8
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CAS Name

N6-Benzoyladenosine

Molecular Formula

C17H17N5O5

Molecular Mass

371.35

Cite this Page

N6-Benzoyladenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4546-55-8 (retrieved 2024-05-03) (CAS RN: 4546-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1

InChIKey

InChIKey=NZDWTKFDAUOODA-CNEMSGBDSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H](CO)[C@H]1O

Canonical SMILES

O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4

Other Names for this Substance

  • Adenosine, N-benzoyl-
  • Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-
  • N-Benzoyladenosine
  • N6-Benzoyladenosine

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