SpectraBase Spectrum ID |
5VwqdvDDpPU |
Name |
Pentoxyfylline |
CAS Registry Number |
6493-05-6 |
Classification |
Pharmaceutical drug, blood flow enhancer |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
278.137890453 u |
Formula |
C13H18N4O3 |
InChI |
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 |
InChIKey |
BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
278.312 g/mol |
Nominal Mass |
278 u |
Quality |
992 |
Retention Index |
2562 |
SMILES |
C12=C(N(C(N(C2=O)CCCCC(=O)C)=O)C)N=CN1C |
SPLASH |
splash10-007o-7940000000-1bb328fa2098372b60b6 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Pentoxifylline
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione |
Technique |
GC/MS |
Wiley ID |
DD2024_009953 |