Ganciclovir Mono-O-acetate

Basic Information

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CAS Number

88110-89-8

Molecular Formula

C11H15N5O5

Molecular Weight

297.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

194-197°C

Boiling Point

607.8°C at 760 mmHg

Density

1.66

Flash Point

321.4°C

Refractive Index

1.691

SMILES

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CC(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N

InChI

InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)

InChIKey

YKLKCCHLLFMWQE-UHFFFAOYSA-N

LogP

-1.4000999999999983

Topological Polar Surface Area

145.34999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

443

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6H-Purin-6-one,9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-
Ganciclovir Mono-O-acetate
[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate
2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-acetoxy-1-propanol
Valganciclovir
6H-Purin-6-one
2-(2-amino-1,6 dihydro-6-oxo-purine-9-yl)-methoxy-3 acetoxy-1-propanol
9-<(1-acetoxy-2-hydroxymethyl)ethoxymethyl>guanine
CS-0950
ganciclovir monoacetate
HY-A0032
O-acetoxy ganciclovir
9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one
Mono-O-AcetylGanciclovir
2-[(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl acetate
2-((2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate
monoacetyl ganciclovir
ganciclovir monoacetate;
BCP09940
Ganciclovir mono-O-acetate
9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one (ACI)
3-Hydroxy-2-((2-imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)propyl acetate
2-((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate
VOP6XHY7OL
SCHEMBL5555694
MONOACETOXY GANCICLOVIR
MONOACETOXYGANCICLOVIR [USP IMPURITY]
HY-41344
2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate
Mono-O-Acetyl Ganciclovir
DS-19642

MDL Number

MFCD09840659

FAQ

What are the physical and chemical properties of Ganciclovir Mono-O-acetate (CAS: 88110-89-8)?

Ganciclovir Mono-O-acetate (CAS: 88110-89-8) is a white or off-white crystalline powder with a molecular weight of approximately 367.4 g/mol. It is moderately soluble in water and ethanol. Chemically, it is stable under normal conditions but can be hydrolyzed in strong acidic or basic conditions. It reacts readily with nucleophiles, making it useful for further chemical modifications.

How is Ganciclovir Mono-O-acetate (CAS: 88110-89-8) typically synthesized?

Ganciclovir Mono-O-acetate (CAS: 88110-89-8) is typically synthesized by acetylation of ganciclovir. The reaction involves treating ganciclovir with acetic anhydride in the presence of a catalytic amount of an acid, such as sulfuric acid or p-toluenesulfonic acid, resulting in a high yield of the mono-O-acetate derivative.

What industries use Ganciclovir Mono-O-acetate (CAS: 88110-89-8)?

Ganciclovir Mono-O-acetate (CAS: 88110-89-8) is primarily used in the pharmaceutical industry for the synthesis of antiviral drugs. It is also utilized in the research and development of new drugs targeting herpes simplex virus and cytomegalovirus.

What precautions should be taken when handling Ganciclovir Mono-O-acetate (CAS: 88110-89-8)?

When handling Ganciclovir Mono-O-acetate (CAS: 88110-89-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handle in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures.