Afatinib-d6 | CAS No. 1313874-96-2

Afatinib-d6

Basic Information

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CAS Number

1313874-96-2

Molecular Formula

C24H19D6ClFN5O3

Molecular Weight

491.98 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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O=C(Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)/C=C/CN(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1/i1D3,2D3

InChIKey

ULXXDDBFHOBEHA-VCXSEIMGSA-N

LogP

4.3899000000000035

Topological Polar Surface Area

88.61 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Synonyms & References

English

Afatinib-d6
Afatinib D6
(S,E)-4-(bis(trideuteromethyl)amino)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)but-2-enamide
(2E)-4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-2-butenamide
Afatinib-d
(S,E)-4-(bis(methyl-d3)amino)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)but-2-enamide

MDL Number

MFCD30747909

FAQ

What is Afatinib-d6 (CAS: 1313874-96-2)?

Afatinib-d6 is a stable isotope-labeled derivative of afatinib, a tyrosine kinase inhibitor used in cancer treatment. It has the chemical formula C20H22F2N2O2. It is used for research purposes, particularly in the study of afatinib's metabolism and pharmacokinetics.

What are the main uses of Afatinib-d6 (CAS: 1313874-96-2)?

Afatinib-d6 is primarily used in research, specifically for studying the metabolism and pharmacokinetics of afatinib. It aids in understanding how the drug is processed in the body and can be used in clinical trials to monitor drug efficacy and safety.

Is Afatinib-d6 (CAS: 1313874-96-2) safe?

Afatinib-d6 is considered safe when used under controlled laboratory conditions. However, it should be handled with caution due to its potential to irritate the skin and eyes. Protective gloves and safety goggles are recommended. Ensure proper ventilation and avoid inhalation or ingestion.

How should Afatinib-d6 (CAS: 1313874-96-2) be stored?

Afatinib-d6 should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions are below 25°C to maintain its stability and effectiveness.