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Crizotinib

View entire compound with spectra: 2 FTIR, and 1 Raman

Crizotinib
SpectraBase Compound ID Iyill3Nxdo0
InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
Mol Weight 450.35 g/mol
Molecular Formula C21H22Cl2FN5O
Exact Mass 449.118544 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID bPDE7OdaMZ
Name Crizotinib
Source of Sample Cayman Chemical Company
Catalog Number 12087
Lot Number 0449607-24
Apodization Function Norton-Beer, medium
CAS Registry Number 877399-52-5
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22Cl2FN5O
IUPAC Name 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine
InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 450.345 g/mol
SMILES N1CCC([n]2cc(-c3cc(c(nc3)N)O[C@@](c3c(c(ccc3Cl)F)Cl)(C)[H])cn2)CC1
Source of Spectrum Forensic Spectral Research
Synonyms PF 2341066; Xalfori
Technique KBr0