Valacyclovir Impurity 1

Basic Information

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CAS Number

172529-93-0

Molecular Formula

C12H14ClN5O4

Molecular Weight

327.73 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

115-116 ºC

SMILES

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COC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC

InChI

InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)

InChIKey

SALNWJHEVGXTER-UHFFFAOYSA-N

LogP

0.41420000000000023

Topological Polar Surface Area

122.22000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

410

Synonyms & References

English

SCHEMBL4950742
DTXSID90433242
FT-0701259
Dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
Dimethyl 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)malonate
EC 605-637-3
AMY377
dimethyl 2-(2-amino-6-chloro-9H-purin-9-yl)ethylmalonate
172529-93-0
1,3-Dimethyl 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propanedioate
DIMETHYL-2-[2-AMINO-6-CHLOROPURINE-9-YL)ETHYL] MALONATE
DIMETHYL [2-(2-AMINO-6-CHLORO-9H-PURIN-9-YL)ETHYL]MALONATE
Dimethyl-2-[2-amino-6-chloropurine-9-yl)ethyl]malonate
Dimethyl2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)malonate
dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propanedioate
[2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl]propanedioic acid dimethyl ester
1,3-dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate
NS00006167
BCP11982

MDL Number

MFCD13194844

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Valacyclovir Impurity 1 (CAS: 172529-93-0)?

Valacyclovir Impurity 1 (CAS: 172529-93-0) must comply with GHS classification, REACH regulations, and FDA/EPA guidelines. It requires proper labeling, storage, and handling as per the United Nations Recommendations on the Transport of Dangerous Goods. Additionally, manufacturers must ensure it meets specific purity standards and does not exceed permissible levels in final products.

Are there alternatives to Valacyclovir Impurity 1 in synthesis?

Alternatives to Valacyclovir Impurity 1 include using different synthetic routes or substituting with other reagents like valine or acyclovir. These alternatives can reduce the impurity content and improve product quality. However, each alternative needs to be evaluated for its efficacy and cost-effectiveness.

What is the market or research trend for Valacyclovir Impurity 1 (CAS: 172529-93-0)?

The market trend for Valacyclovir Impurity 1 (CAS: 172529-93-0) reflects growing emphasis on drug purity and safety. Research is focused on developing more efficient and cost-effective purification methods. There is also an increasing demand for impurity analysis tools and techniques, driven by regulatory standards and patient safety concerns.

How should waste containing Valacyclovir Impurity 1 (CAS: 172529-93-0) be handled?

Waste containing Valacyclovir Impurity 1 (CAS: 172529-93-0) should be collected in appropriate containers, labeled clearly, and stored in a secure, well-ventilated area. Proper disposal methods include incineration or professional waste disposal services. Environmental precautions include minimizing exposure and ensuring compliance with local environmental protection regulations to prevent contamination of soil and water sources.