| SpectraBase Spectrum ID |
DlrAPmiac6K |
| Name |
Proxyphylline |
| CAS Registry Number |
603-00-9 |
| Classification |
Pharmaceutical drug, broncholytic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
238.106590324 u |
| Formula |
C10H14N4O3 |
| InChI |
InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 |
| InChIKey |
KYHQZNGJUGFTGR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
238.247 g/mol |
| Nominal Mass |
238 u |
| Quality |
994 |
| Retention Index |
2097 |
| SMILES |
OC(CN1C2=C(N(C(N(C2=O)C)=O)C)N=C1)C |
| SPLASH |
splash10-000x-7900000000-e547947eb82e62e274ec |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-(2-Hydroxypropyl)theophylline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009999 |
