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Dacomitinib-[d10] dihydrochloride

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Metabolic Research

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Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Dacomitinib-[d10] dihydrochloride

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General Information
Catalog: BLP-002412
Molecular Formula: C24H17D10Cl3FN5O2
Molecular Weight: 552.92

Chemical Structure

Description	Dacomitinib-[d10] dihydrochloride, is the labelled analogue of Dacomitinib. Dacomitinib is a medication for the treatment of non-small-cell lung carcinoma. It is a selective and irreversible inhibitor of EGFR.
Synonyms	Dacomitinib D10 dihydrochloride
IUPAC Name	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)but-2-enamide;dihydrochloride
Related CAS	1110813-31-4 (unlabelled free base)
Canonical SMILES	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4.Cl.Cl
InChI	InChI=1S/C24H25ClFN5O2.2ClH/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;;/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);2*1H/b6-5+;;/i2D2,3D2,4D2,9D2,10D2;;
InChI Key	LXKDPSJRGPJVSA-CGPQFTACSA-N
Purity	> 98%