| SpectraBase Spectrum ID |
ENrvtz6iK55 |
| Name |
Theophylline, 8-(chloromethyl)-7-ethyl- |
| CAS Registry Number |
27042-88-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H13ClN4O2 |
| InChI |
InChI=1S/C10H13ClN4O2/c1-4-15-6(5-11)12-8-7(15)9(16)14(3)10(17)13(8)2/h4-5H2,1-3H3 |
| InChIKey |
CJWHFABMVOMXAG-UHFFFAOYSA-N |
| Molecular Weight |
256.693 g/mol |
| SMILES |
CC[n]1c(CCl)nc2c1C(N(C)C(N2C)=O)=O |
| SPLASH |
splash10-0avl-6490000000-a46e204be3267d3e63ff |
| Source of Spectrum |
G-34-1662-4 |
| Synonyms |
8-(Chloromethyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(chloromethyl)-7-ethyl-1,3-dimethyl-purine-2,6-dione
8-(chloromethyl)-7-ethyl-1,3-dimethyl-xanthine |
| Wiley ID |
1259225 |
