Acyclovir

CAS Number: 59277-89-3

Molecular Formula: C8H11N5O3

About Acyclovir

59277-89-3 (Acyclovir) acts as a highly specialised synthetic purine nucleoside derivative optimised for immediate incorporation into commercial antiviral therapeutics. Engineered with a baseline purity threshold exceeding 99%, this fine chemical building block is universally deployed by drug manufacturers to formulate...

Synonyms

9-((2-Hydroxyethoxy)methyl)guanine
Aci Sanorania
Aci-Sanorania
Acic
Aciclobeta

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Acyclovir Specifications

CAS Number

59277-89-3

Molecular Formula

C8H11N5O3

Molecular Weight

225.20 g/mol

IUPAC Name

2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one

Canonical SMILES

C1=NC2=C(N1COCCO)N=C(NC2=O)N

InChI Key

MKUXAQIIEYXACX-UHFFFAOYSA-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)

PubChem CID

135398513

UNII Code

X4HES1O11F

ChEBI ID

CHEBI:2453

HMDB ID

HMDB0014925

DSSTox Substance ID

DTXSID1022556

EINECS Number

261-685-1

MDL Number

MFCD00057880

HSN No

30049099

CAS Number

59277-89-3

Molecular Formula

C8H11N5O3

Molecular Weight

225.20 g/mol

IUPAC Name

2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one

Canonical SMILES

C1=NC2=C(N1COCCO)N=C(NC2=O)N

InChI Key

MKUXAQIIEYXACX-UHFFFAOYSA-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)

PubChem CID

135398513

UNII Code

X4HES1O11F

ChEBI ID

CHEBI:2453

HMDB ID

HMDB0014925

DSSTox Substance ID

DTXSID1022556

EINECS Number

261-685-1

MDL Number

MFCD00057880

HSN No

30049099

Molecular Weight

225.20 g/mol

XLogP3

-1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

225.08618923 Da

Monoisotopic Mass

225.08618923 Da

Melting Point

255 °C

Boiling Point

595

GHS Hazard Statements

H315 (77.9%): Causes skin irritation H319 (77.9%): Causes serious eye irritation H335 (71.6%): May cause respiratory irritation

Hazard Classes and Categories

Skin Irrit. 2 (77.9%) Eye Irrit. 2A (77.9%) STOT SE 3 (71.6%)

Antiviral Agent

A synthetic purine nucleoside analogue primarily used for the treatment and management of infections caused by herpes simplex virus (HSV-1, HSV-2) and varicella-zoster virus, including genital herpes, cold sores, shingles, and chickenpox

Pharmaceutical Reference Standard

A high-purity compound utilized as a primary or secondary standard in analytical quality control, method development, and pharmacopeial assays to ensure the identity, strength, and quality of drug formulations

DNA Polymerase Inhibitor

A biochemical tool used in scientific research to study viral replication mechanisms by selectively inhibiting viral DNA synthesis and preventing the spread of infection within host cells

Organic Building Block

A functionalised heterocyclic intermediate employed in the synthesis of related antiviral derivatives and complex medicinal molecules in both academic and industrial pharmaceutical research