Adefovir Dipivoxil Impurity 1

Basic Information

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CAS Number

1215101-40-8

Molecular Formula

C25H40N5O9P

Molecular Weight

585.6 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

Boiling Point

SMILES

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CC(C)(C)C(=O)Nc1c2c(ncn1)n(cn2)CCOCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C25H40N5O9P/c1-23(2,3)20(31)29-18-17-19(27-12-26-18)30(13-28-17)10-11-35-16-40(34,38-14-36-21(32)24(4,5)6)39-15-37-22(33)25(7,8)9/h12-13H,10-11,14-16H2,1-9H3,(H,26,27,29,31)

InChIKey

APRPNPWRQHFUDM-UHFFFAOYSA-N

LogP

4.104900000000003

Topological Polar Surface Area

170.05999999999997 Å²

Hydrogen Bond Donor/Acceptor

1 / 14

Complexity

893

Safety Information

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Hazard Statement

Synonyms & References

English

((((2-(6-Pivalamido-9H-purin-9-yl)ethoxy)methyl)phosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)
[2-[6-(2,2-dimethylpropanoylamino)purin-9-yl]ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 58409477
6N-2,2-Dimethyl-1-oxopropyl Adefovir Dipivoxil
((((2-(6-pivalamido-9H-purin-9-yl)ethoxy)methyl) phosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)

FAQ

What are the physical and chemical properties of Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8)?

Adefovir Dipivoxil Impurity 1 is a solid with a crystalline form. Its molecular weight is approximately 405.5 g/mol. This impurity is poorly soluble in water but soluble in organic solvents like dimethyl sulfoxide (DMSO). It is relatively stable under normal conditions but may react with strong acids or bases. The impurity is generally not reactive towards common functional groups under normal laboratory conditions.

How is Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8) typically synthesized?

Adefovir Dipivoxil Impurity 1 is synthesized through a series of chemical reactions, primarily involving the acylation of a nucleoside derivative. Commonly, this involves the use of dipivaloyl chloride as the acylating agent. The synthesis typically requires careful control of reaction conditions to achieve high selectivity and yield. The process involves multiple steps, including purification and crystallization, to obtain the desired impurity.

What industries use Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8)?

Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8) is primarily used in the pharmaceutical industry, where it serves as a quality control reference material. It may also have applications in research and development for studying the properties and behavior of related compounds in drug formulation and release.

What precautions should be taken when handling Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8)?

When handling Adefovir Dipivoxil Impurity 1 (CAS: 1215101-40-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be performed in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately according to the Material Safety Data Sheet (MSDS). Always refer to the latest SDS for detailed handling instructions and emergency procedures.