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Heterocyclic building blocks

Ibacitabine

Also known as 5-Iodo-2'-deoxycytidine, 2'-Deoxy-5-iodocytidine, Ibacitabinum

CAS 611-53-0Formula C9H12IN3O4Molar mass 353.12 g/molEC 210-269-8
GHS signal word: Warning. Pictograms: Harmful or irritant 15 suppliers listed
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Ibacitabine chemical structure, C9H12IN3O4, CAS 611-53-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
611-53-0
Formula
C9H12IN3O4
Molar mass
353.12 g/mol
EC number
210-269-8
HS code
293499
Category
Heterocyclic building blocks

What is Ibacitabine?

Plain description, key identifiers and synonyms

Ibacitabine is a pyrimidine 2'-deoxyribonucleoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
CAS number
611-53-0 CAS number cross-checked
EC number
210-269-8
Molecular formula
C9H12IN3O4
UNII
3EK8532DZV
MDL number
MFCD00038063
InChIKey
WEVJJMPVVFNAHZ-RRKCRQDMSA-N
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
Canonical SMILES
Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1I
Isomeric SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O

Synonyms

  • 5-Iodo-2'-deoxycytidine
  • 2'-Deoxy-5-iodocytidine
  • Ibacitabinum
  • Ibacitabina
  • 5-Iododeoxycytidine
  • Ibacitabin
  • Cuterpes
  • iododesoxycytidine
  • 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-iodo-1,2-dihydropyrimidin-2-one
  • iododeoxycytidine
  • 4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
  • Cytidine, 2'-deoxy-5-iodo-
  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
  • Ibacitabine (INN)
  • IDC
  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
  • 5-Iodo-deoxycytidine
  • 5-Iodo-2-deoxycytidine
  • 5-lodo-2'-Deoxycytidine
  • 2'-Deoxy-5-iodo-D-cytidine
  • 5-Iodo-deoxycytidine, 5-IDC
  • 5-Iodo-2'deoxycytidine
  • 4-Amino-1-(4-hydroxy-5-hydroxymethy
  • 5-lodo-2'-deoxycytidine(5-I-2'-dC)
  • 5-Iodo-2 inverted exclamation mark -deoxycytidine
Show all 27 synonyms
  • 5-Iodo-2 inverted exclamation marka-deoxycytidine
  • 4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidin-2-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
353.12 g/molcalc.
Exact mass
352.9873 Dacalc.
LogP (octanol/water)
-0.93calc.
Topological polar surface area
110.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ncccn1C1CCCO1

O=c1ncccn1C1CCCO1

2 rings, 12 atoms.

1,589 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ibacitabine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 15 suppliers
15 of 15 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

15 suppliers in 3 countries

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Ibacitabine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antiviral Agents

Roles

  • antimicrobial agent
  • antiviral agent

Pharmacology

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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ibacitabine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ibacitabine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ibacitabine, based on the data on this page

What is Ibacitabine?

Ibacitabine is a pyrimidine 2'-deoxyribonucleoside.

What is the CAS number of Ibacitabine?

The CAS registry number of Ibacitabine is 611-53-0.

What is the molecular formula and weight of Ibacitabine?

The molecular formula of Ibacitabine is C9H12IN3O4 and its molar mass is 353.12 g/mol.

What is Ibacitabine used for?

Known uses and roles of Ibacitabine include building blocks in research and laboratory, antimicrobial agent, antiviral agent and antiviral agents.

Is Ibacitabine hazardous?

Ibacitabine carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ibacitabine?

Ibacitabine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ibacitabine?

CompoundList lists 15 suppliers of Ibacitabine in China, United States and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ibacitabine?

Suppliers quote Ibacitabine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ibacitabine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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