IBACITABINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10739980 | https://www.ncbi.nlm.nih.gov/pubmed/23602704

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

PubMed

Title	Date	PubMed
Efficacy of select antivirals against Cryptosporidium parvum in vitro.	1998-11-01	9812363
In vitro susceptibility of varicella-zoster virus to E-5-(2-bromovinyl)-2'-deoxyuridine and related compounds.	1982-01	6282207
Relative potencies of different anti-herpes agents in the topical treatment of cutaneous herpes simplex virus infection of athymic nude mice.	1979-11	526011
Nucleosides. 110. Synthesis and antiherpes virus activity of some 2'-fluoro-2'-deoxyarabinofuranosylpyrimidine nucleosides.	1979-01	218006

Patents

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:59:36 GMT 2025` Edited by `admin` on `Wed Apr 02 06:59:36 GMT 2025`
Record UNII	3EK8532DZV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IBACITABINE

Official Name

English

ibacitabine [INN]

Preferred Name

English

IDC

Common Name

English

5-IODO-2'-DEOXYCYTIDINE

Systematic Name

English

Ibacitabine [WHO-DD]

Common Name

English

2'-DEOXY-5-IODOCYTIDINE

Systematic Name

English

NSC-527083

Code

English

IBACITABINE [MART.]

Common Name

English

Classification Tree Code System Code

WHO-ATC

D06BB08

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

NCI_THESAURUS

C1557

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

NCI_THESAURUS

C281

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

WHO-VATC

QD06BB08

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

Code System Code Type Description

MESH

C011288

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

PRIMARY

NCI_THESAURUS

C83771

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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WIKIPEDIA

IBACITABINE

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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EVMPD

SUB08090MIG

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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EPA CompTox

DTXSID50209985

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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PUBCHEM

65050

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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NSC

527083

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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ECHA (EC/EINECS)

210-269-8

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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FDA UNII

3EK8532DZV

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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DRUG BANK

DB13776

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

PRIMARY

ChEMBL

CHEMBL2104340

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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SMS_ID

100000083645

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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CAS

611-53-0

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

PRIMARY

INN

5989

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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DRUG CENTRAL

4572

Created by admin on Wed Apr 02 06:59:36 GMT 2025 , Edited by admin on Wed Apr 02 06:59:36 GMT 2025

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Related Record Type Details


					3EK8532DZV

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