isobutylmethylxanthine
isobutylmethylxanthine
| SMILES | CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21 |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 222.1 |
Database connections
No bioactivity data available.
isobutylmethylxanthine
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV