Ibacitabine

CAS Registry Number®

611-53-0

CAS Name

Ibacitabine

Molecular Formula

C9H12IN3O4

Molecular Mass

353.11

Cite this Page

Ibacitabine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=611-53-0 (retrieved 2024-11-22) (CAS RN: 611-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

InChIKey

InChIKey=WEVJJMPVVFNAHZ-RRKCRQDMSA-N

SMILES

O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(I)C(N)=N1

Canonical SMILES

O=C1N=C(N)C(I)=CN1C2OC(CO)C(O)C2

Other Names for this Substance

  • Cytidine, 2′-deoxy-5-iodo-
  • 2′-Deoxy-5-iodocytidine
  • 5-Iodo-2′-deoxycytidine
  • 5-Iododeoxycytidine
  • Ibacitabine

View All

Deleted or Replaced CAS Registry Numbers

1938058-25-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration