For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Vandetanib
SpectraBase Compound ID 4E9UU9yZq96
InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKey UHTHHESEBZOYNR-UHFFFAOYSA-N
Mol Weight 475.36 g/mol
Molecular Formula C22H24BrFN4O2
Exact Mass 474.106667 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6wznCgdtplW
Name Vandetanib
Source of Sample Cayman Chemical Company
Catalog Number 14706
CAS Registry Number 443913-73-3
Cell Type Neat on gold post
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24BrFN4O2
IUPAC Name N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine
InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKey UHTHHESEBZOYNR-UHFFFAOYSA-N
Molecular Weight 475.362 g/mol
Purity >=98%
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Source Nd:YAG
SMILES N(c1c2cc(c(cc2ncn1)OCC1CCN(CC1)C)OC)c1ccc(cc1F)Br
Scans Performed 2240
Source of Spectrum Forensic Spectral Research
Synonyms CH 331; Zactima; ZD 6474
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 217, 250, 331