Theobromine
Theobromine (3,7-Dimethylxanthine) is a xanthine alkaloid widely consumed as stimulants and snacks in coffee and cocoa based foods and most often as part of ingredients in drugs.
| Trivial name | 3,7-Dimethylxanthine |
| Catalog Number | S2368 |
| Molecular Formula | C25H29Cl2F3N2O4S |
| CAS# | 83-67-0 |
| Inchi | InChI=1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H |
| Inchi Key | LSECOAJFCKFQJG-UHFFFAOYSA-N |
| SMILES | C1COCCN1CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F.Cl.Cl |
| Size | 50mg |
| Supplier Page | http://www.selleckchem.com/products/Theobromine(3,7-Dimethylxanthine).html |
| Additional Information | https://file.selleck.cn/downloads/struct/Theobromine-3-7-Dimethylxanthine-chemical-structure-S2368.gif |