7-Propyltheophylline dopamine
7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Propyltheophylline dopamine|D 4975|D-4975|1H-Purine-2,6-dione, 7-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-|7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione|1H-Purine-2,6-dione,7-[3-[[2-(3,4-dihydroxyphenyl)ethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-|3,7-Dihydro-7-[3-[[2-(3,4-dihydroxyphenyl)ethyl]amino]propyl]-1,3-dimethyl-1H-purine-2,6-dione|7-(3-{[2-(3,4-dihydroxyphenyl)ethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(3-{[2-(3,4-dihydroxyphenyl)ethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O4 |
|---|---|
| Molecular Weight | 373.17502 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.17502 |
| Monoisotopic Mass | 373.17502 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 71201-33-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CC(=C(C=C3)O)O |
| InChIKey | PTKBXZQSYDMMLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Propyltheophylline dopamine (CAS 71201-33-7), with molecular formula C18H23N5O4 and molecular weight 373.17502 g/mol. IUPAC: 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione.
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