611-53-0, Ibacitabine, CAS:611-53-0

611-53-0, Ibacitabine,
CAS:611-53-0
C9H12IN3O4 / 353.12
MFCD00038063

Ibacitabine, 5-碘-2-脱氧胞苷

2'-Deoxy-5-iodocytidine

Ibacitabine is an iodinated analog of deoxycytidine used topically in the treatment of herpes labialis.

Ibacitabine is a pyrimidine 2'-deoxyribonucleoside.

Anti-viral agent; iodinated analog of deoxycytidine.

CAS Number	611-53-0
Product Name	5-Iodo-2'-deoxycytidine
IUPAC Name	4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular Formula	C9H12IN3O4
Molecular Weight	353.12 g/mol
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)
InChI Key	WEVJJMPVVFNAHZ-RRKCRQDMSA-N
SMILES	C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O
Solubility	Soluble in DMSO
Synonyms	2'-deoxy-5-iodocytidine, 5-iodo-2'-deoxycytidine, 5-iodo-2'-deoxycytidine, 125I-labeled, 5-iododeoxycytidine, iododeoxycytidine
Canonical SMILES	C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O
Isomeric SMILES	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O

CAS No: 611-53-0 Synonyms: 2'-Deoxy-5-iodo-D-cytidine5'-Iodo-2'-deoxycytidine MDL No: MFCD00038063 Chemical Formula: C9H12IN3O4 Molecular Weight: 353.12

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