HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trebenzomine
Trebenzomine · N,N,2-Trimethyl-3-chromanamine · 2H-1-Benzopyran-3-amine, 3,4-dihydro-N,N,2-trimethyl- · 3,4-Dihydro-3-(dimethylamino)-2-methyl-2H-1-benzopyran
Identifiers & Physical Properties
| CAS No. | 23915-73-3 |
|---|---|
| Molecular formula | C12H17NO |
| Average molar mass | 191.27 g/mol |
| Monoisotopic mass | 191.13101417 g/mol |
| SMILES | CC1Oc2ccccc2CC1N(C)C |
| InChIKey | FDJAKSHVOONYHX-UHFFFAOYSA-N |
| PubChem CID | 32142 |
| ChEMBL | CHEMBL2111184 |
| EC No. | 109-851-3 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 12.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 193 |
| Boiling point | 276.7±29.0 °C(Predicted) |
| Density | 1.04±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.82±0.40(Predicted) |
| FDA UNII | E26GV7524F |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
Applications & Uses
Uses
Trebenzomine (CI-686 free base) is a centrally acting psychotropic compound. Trebenzomine has both neuroleptic and stimulant activity. Trebenzomine potentiates Methamphetamine-induced self-stimulation. Trebenzomine reduces septal hyperirritability, suppression of conditioned avoidance behavior, blocks Apomorphine (HY-12723)-induced emesis in dogs[1].