Emtricitabine sulfoxide

Basic Information

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CAS Number

152128-77-3

Molecular Formula

C8H10FN3O4S

Molecular Weight

263.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1C(OC(S1=O)CO)N2C=C(C(=NC2=O)N)F

InChI

InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17?/m0/s1

InChIKey

DMOMZPWPIDCLMB-YGFFCSEESA-N

LogP

-1.4394999999999996

Topological Polar Surface Area

107.44 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

439

Synonyms & References

English

Emtricitabine S-Oxide (Mixture of Diastereomers)
4-amino-5-fluoro-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Emtricitabine S-Oxide (Mixture of Diastereomers)
4-Amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
A)]-4-Amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone S-Oxide
A)]-4-Amino-5-fluoro-1-[2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
A,5
Emtricitabine Impurity
Emtricitabine Sulfoxide
Emtricitabine Sulphoxide
(-)-EMtricitabine S-Oxide (Mixture of DiastereoMers)
[2R-(2α,5α)]-4-AMino-5-fluoro-1-[2-(hydroxyMethyl) -1,3-oxathiolan-5-yl]-2(1H)-pyriMidinone S-Oxide
[2R-(2α,5α)]-4-AMino-5-fluoro-1- [2-(hydroxyMethyl)-3-oxido-1,3-oxathiolan-5-yl]-2(1H)-pyriMidinone
Emtricitabine S-oxide
4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan -5-yl)pyrimidin-2(1H)-one
Emtricitabine sulfoxide
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, S-oxide, (2R-(2alpha,5alpha))-
(-)-EMtricitabine S-Oxide
UNII-Y00K47B026
Emtricitabine Degradant-III
HY-100096
Y00K47B026
CS-0018073
(-)-Emtricitabine s-oxide(mixture of diastereomers)
EmtricitabineDegradant-III
Q27294073
2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-(2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)-, S-OXIDE, (2R-(2.ALPHA.,5.ALPHA.))-
A1-01731
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl)-
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
152128-77-3

MDL Number

MFCD29045173

FAQ

What regulatory guidelines apply to Emtricitabine sulfoxide (CAS: 152128-77-3)?

Emtricitabine sulfoxide (CAS: 152128-77-3) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for classification and labeling of chemicals, REACH regulations in the European Union, and FDA and EPA guidelines in the United States. Producers and distributors must ensure compliance with local and international regulations regarding safety data sheets, hazard communication, and environmental protection.

Are there alternatives to Emtricitabine sulfoxide in synthesis?

Emtricitabine sulfoxide (CAS: 152128-77-3) is often used in the synthesis of antiretroviral drugs. While there are no direct alternatives, researchers may explore other sulfoxides or other antiviral compounds as substitutes depending on the specific reaction conditions and desired outcomes. Common alternative reagents include other sulfur-containing compounds that can serve similar functional group transformations.

What is the market or research trend for Emtricitabine sulfoxide (CAS: 152128-77-3)?

The market for Emtricitabine sulfoxide (CAS: 152128-77-3) is closely tied to the broader market for antiretroviral drugs. Research trends indicate a focus on the development of more effective and less toxic antiretroviral therapies. Market analysis shows an increasing demand for emtricitabine-based formulations due to their efficacy in treating HIV/AIDS. Investigative research is also exploring the potential for emtricitabine sulfoxide derivatives in other therapeutic areas such as hepatitis B treatment.

How should waste containing Emtricitabine sulfoxide (CAS: 152128-77-3) be handled?

Waste containing Emtricitabine sulfoxide (CAS: 152128-77-3) should be handled in accordance with local regulations. Typically, this involves proper collection, neutralization, and incineration or disposal by a certified hazardous waste management company. Environmental protection precautions include minimizing waste generation and ensuring that all waste is properly labeled and segregated to prevent the release of harmful substances into the environment.