Anodyne| Cafedrine | |
|---|---|
 |
| Salts [] | |
|---|---|
| Cafedrine hydrochloride | |
|
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C18H23N5O3[1] |
|---|---|
| Molecular mass | 357.4 g/mol[1] |
| Predicted LogP | 0.3[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | 7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione[1] |
| SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C[1] |
| InChI | InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1[1] |
| InChIKey | UJSKUDDDPKGBJY-WFASDCNBSA-N[1] |
| Dosing |
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Cafedrine
Cafedrine (also known as (-)-Cafedrine, Cafedrin, l-Cafedrine, Cafedrinum, Cafedrina, 7-(2-(2-Hydroxy-1-methylphenethylamino)ethyl)theophylline, 7-(2-(β-Hydroxy-α-methylphenethylamino)ethyl)theophylline, Theophylline, 7-(2-(β-hydroxy-α-methylphenethylamino)ethyl)-, 1H-purine-2,6-dione, 3,7-dihydro-7-(2-(((1s,2r)-2-hydroxy-1-methyl-2-phenylethyl)amino)ethyl)-1,3-dimethyl- or 7-(2-((αS,βR)-β-Hydroxy-α-methylphenethylamino)ethyl)-1,3-dimethyl-2,6(1H,3H)purindion) is a sympathomimetic substance of the phenylethanolamine class.
Chemistry
Cafedrine is typically found in the form of its hydrochloride salt.
Stereochemistry
Cafedrine is a absolute mixture