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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12IN3O4
Molecular Weight 353.1138
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBACITABINE

SMILES

NC1=NC(=O)N(C=C1I)[C@H]2C[C@H](O)[C@@H](CO)O2

InChI

InChIKey=WEVJJMPVVFNAHZ-RRKCRQDMSA-N
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

HIDE SMILES / InChI

Molecular Formula C9H12IN3O4
Molecular Weight 353.1138
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

5-iodo-2'-deoxycytidine (IBACITABINE) is an anti-herpetic agent. Experiments with a tumor mouse model have revealed, that radioiodinated compound, (131)I-5-iodo-2'-deoxycytidine was a promising single photon emission computed tomography probe for imaging proliferation.

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
3EK8532DZV
Record Status Validated (UNII)
Record Version