Afatinib Impurity 52

Datasheet MSDS
Catalog Number
RP0016
Product Name
Afatinib Impurity 52
Structure
IUPAC Name
N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-2-diethoxyphosphorylacetamide
CAS Number
618061-76-0
Synonyms
(S)-diethyl 2-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-ylamino)-2-oxoethylphosphonate; Diethyl {[4-(3-Chloro-4-Fluoro-Phenylamino)-7-((S)-Tetrahydrofuran-3-Yloxy)-Quinazolin-6-Ylcarbamoyl]-Methyl}-Phosphonate
Molecular Formula
C24H27ClFN4O6P
Molecular Weight
552.92
Purity
95%
Density
1.4±0.1 g/cm3
Boiling Point
709.9±60.0°C at 760 mmHg
SMILES
CCOP(=O)(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4)OCC
InChI
InChI=1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)/t16-/m0/s1
InChI Key
FNGRCLBEXKFSST-INIZCTEOSA-N
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