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Isotope-labelled compounds

Acyclovir-d4

Also known as Aciclovir-D4, 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one, Aciclovir-d4, Acyclovir-D4, 2-Amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]purin-6-ol

CAS 1185179-33-2Formula C8H11N5O3Molar mass 229.23 g/mol
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Acyclovir-d4 chemical structure, C8H11N5O3, CAS 1185179-33-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1185179-33-2
Formula
C8H11N5O3
Molar mass
229.23 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Acyclovir-d4?

Plain description, key identifiers and synonyms

Acyclovir-d4 is a chemical substance with the molecular formula C8H11N5O3 and a molar mass of 229.23 g/mol. Its CAS registry number is 1185179-33-2. The IUPAC name is 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one
CAS number
1185179-33-2
Molecular formula
C8H11N5O3
InChIKey
MKUXAQIIEYXACX-LNLMKGTHSA-N
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2
Canonical SMILES
Nc1nc2c(ncn2COCCO)c(=O)[nH]1
Isomeric SMILES
[2H]C([2H])(C([2H])([2H])OCN1C=NC2=C1N=C(NC2=O)N)O

Synonyms

  • Aciclovir-D4
  • 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one
  • Aciclovir-d4, Acyclovir-D4, 2-Amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]purin-6-ol
  • TMIJ-0013
  • 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy-1,1,2,2-d4)methyl]-6H-purin-6-one
  • 2-Amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6(9H)-one
  • 2-amino-9-{[2-hydroxy(1,1,2,2-?H?)ethoxy]methyl}-6,9-dihydro-1H-purin-6-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
229.23 g/molcalc.
Exact mass
229.1113 Dacalc.
LogP (octanol/water)
-1.33calc.
Topological polar surface area
119.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1[nH]cnc2nc[nH]c12

O=c1[nH]cnc2nc[nH]c12

2 rings, 10 atoms, the Hypoxanthine ring system.

586 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Acyclovir-d4 suppliers

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Where suppliers are based

1 supplier in 1 country

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Acyclovir-d4 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Acyclovir-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Acyclovir-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acyclovir-d4, based on the data on this page

What is Acyclovir-d4?

Acyclovir-d4 is a chemical substance with the molecular formula C8H11N5O3 and a molar mass of 229.23 g/mol. Its CAS registry number is 1185179-33-2. The IUPAC name is 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one.

What is the CAS number of Acyclovir-d4?

The CAS registry number of Acyclovir-d4 is 1185179-33-2.

What is the molecular formula and weight of Acyclovir-d4?

The molecular formula of Acyclovir-d4 is C8H11N5O3 and its molar mass is 229.23 g/mol.

What is Acyclovir-d4 used for?

Known uses and roles of Acyclovir-d4 include isotope-labelled compounds in research and laboratory.

Is Acyclovir-d4 hazardous?

No GHS hazard classification for Acyclovir-d4 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Acyclovir-d4?

Acyclovir-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acyclovir-d4?

CompoundList lists 1 supplier of Acyclovir-d4 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acyclovir-d4?

Suppliers quote Acyclovir-d4 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 Acyclovir-d4

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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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