Anodyne| 8-CTP | |
|---|---|
 | |
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Physical properties [] | |
|---|---|
| Molecular mass | 214.61 g/mol [1] |
| Predicted LogP | 0.9 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C7H7ClN4O2 [1] |
| IUPAC name | 8-chloro-1,3-dimethyl-7H-purine-2,6-dione [1] |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl [1] |
| InChI | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) [1] |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N [1] |
8-Chlorotheophylline
8-Chlorotheophylline (also known as 1,3-Dimethyl-8-chloroxanthine, chlortheophylline, Theophylline, 8-chloro-, 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-Chlorotheophyline, 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 8-Chlortheophylline, Ec 201-590-4 or sodium-8-chlorotheophylline) is a
Chemistry
Stereochemistry []
8-Chlorotheophylline is a achiral mixture
See also []
External links []
- 8-Chlorotheophylline (Wikipedia)
- 8-Chlorotheophylline (Wikidata)
- 8-Chlorotheophylline (DrugBank)
- 8-Chlorotheophylline (PubChem)
- 8-Chlorotheophylline (ChEMBL)
- 8-Chlorotheophylline (ChEBI)
- 8-Chlorotheophylline (Common Chemistry)
- 8-Chlorotheophylline (HMDB)
- 8-Chlorotheophylline (UNII)
- 8-Chlorotheophylline (EPA DSSTox)
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 10661, 8-Chlorotheophylline. Accessed June 26, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/10661
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 8-Chlorotheophylline. UNII: GE2UA340FM. Global Substance Registration System. Accessed June 26, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GE2UA340FM