Ibacitabine
CAS Registry Number®
611-53-0
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CAS Name
IbacitabineMolecular Formula
C9H12IN3O4Molecular Mass
353.11Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
1938058-25-3
