| SpectraBase Spectrum ID |
IO9WwbWDFHd |
| Name |
Gefitinib |
| CAS Registry Number |
184475-35-2 |
| Classification |
Cytostatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
446.152096509 u |
| Formula |
C22H24N4O3ClF |
| InChI |
InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
| InChIKey |
XGALLCVXEZPNRQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
446.910 g/mol |
| SMILES |
c1c2c(cc(c1OCCCN1CCOCC1)OC)ncnc2Nc1ccc(c(c1)Cl)F |
| SPLASH |
splash10-0udi-4911000000-7b7450924021f8b43b97 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8447 |
