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Pelitinib-[d6]

General Information
Catalog: BLP-003751
CAS: 1325223-34-4
Molecular Formula: C24H17D6ClFN5O2
Molecular Weight: 473.96
Chemical Structure
Pelitinib-[d6]
Description Pelitinib-[d6], is the labelled analogue of Pelitinib. Pelitinib is a 3-cyanoquinoline pan-ErbB tyrosine kinase inhibitor with potential antineoplastic activity.
Synonyms Pelitinib-d6
IUPAC Name (E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide
Related CAS 257933-82-7 (unlabelled)
Canonical SMILES CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+/i2D3,3D3
InChI Key WVUNYSQLFKLYNI-OTHCMBSRSA-N
Boiling Point 655.5±55.0°C at 760 mmHg
Melting Point 173-178°C
Density 1.3±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Off-white Solid
Storage Store at-20°C

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