Afatinib Impurity 51

Basic Information

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CAS Number

314771-76-1

Molecular Formula

C18H16ClFN4O2

Molecular Weight

374.8 g/mol

Basic Physical Properties

Solubility

Insuluble (2.1E-4 g/L) (25 ºC),

SMILES

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FC1=CC=C(NC2=C3C=C(N)C(O[C@@H]4COCC4)=CC3=NC=N2)C=C1Cl

InChI

InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1

InChIKey

BIQABKFYKJRXII-NSHDSACASA-N

LogP

3.9158000000000017

Topological Polar Surface Area

82.29 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
(S)-N4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine
Afatinib BIBW2992 Intermediate4
Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl
N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine
Anidulafungin
(S)-N4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-di
QC-4224
4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
Afatinib Impurity B
Afatinib INT
(S)-N4-(3-chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine

MDL Number

MFCD18642925

Customs Code

2934999090

FAQ

What is Afatinib Impurity 51 (CAS: 314771-76-1)?

Afatinib Impurity 51 is a byproduct found in the synthetic process of afatinib, a broad-spectrum tyrosine kinase inhibitor used in the treatment of non-small cell lung cancer and head and neck cancer. Its chemical formula is C21H17F3N2O2. This impurity has similar physical properties to the parent compound, including a yellow solid at room temperature and a melting point range of 167-169°C.

What are the main uses of Afatinib Impurity 51 (CAS: 314771-76-1)?

Afatinib Impurity 51, while not directly used in clinical treatments, is analyzed and monitored during the synthesis and quality control of afatinib to ensure drug purity and safety. It serves as a reference point for impurity profiling and quality assurance in the pharmaceutical industry.

Is Afatinib Impurity 51 (CAS: 314771-76-1) safe?

Afatinib Impurity 51, like all chemicals, requires careful handling to avoid skin contact and inhalation. It is not considered highly hazardous, but it should be stored under controlled conditions and handled using appropriate protective equipment such as gloves and goggles. Follow local safety regulations and guidelines for the storage and disposal of chemical impurities.

How should Afatinib Impurity 51 (CAS: 314771-76-1) be stored?

Afatinib Impurity 51 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 moisture absorption. Store it at a temperature not exceeding 25°C and below 50% relative humidity to maintain its stability and purity. Use airtight containers to protect the impurity from environmental contaminants.