Anodyne| IBMX | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Conformer structure via JSmol | |
| Physical properties [] | |
|---|---|
| Molecular mass | 222.24 g/mol [1] |
| Predicted LogP | 1.5 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C10H14N4O2 [1] |
| IUPAC name | 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione [1] |
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2 [1] |
| InChI | InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) [1] |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N [1] |
Isobutylmethylxanthine
Isobutylmethylxanthine (also known as 3-Isobutyl-1-methylxanthine, Methylisobutylxanthine, 1-Methyl-3-isobutylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-, Xanthine, 3-isobutyl-1-methyl-, 3-Isobutyl-1-methyxanthine, 3-isobutyl-1-methyl-7H-xanthine, Methyl-isobutylxanthine, 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione or 3-Isobutyl 1-methylxanthine) is a
Chemistry
Stereochemistry []
Isobutylmethylxanthine is a achiral mixture
See also []
External links []
- Isobutylmethylxanthine (Wikipedia)
- Isobutylmethylxanthine (Wikidata)
- Isobutylmethylxanthine (DrugBank)
- Isobutylmethylxanthine (PubChem)
- Isobutylmethylxanthine (ChEMBL)
- Isobutylmethylxanthine (ChEBI)
- Isobutylmethylxanthine (Common Chemistry)
- Isobutylmethylxanthine (HMDB)
- Isobutylmethylxanthine (KEGG)
- Isobutylmethylxanthine (UNII)
- Isobutylmethylxanthine (EPA DSSTox)
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 3758, Isobutylmethylxanthine. Accessed June 26, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/3758
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Isobutylmethylxanthine. UNII: TBT296U68M. Global Substance Registration System. Accessed June 26, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TBT296U68M