HuagongsheHuagongshe Chemistry Print Report · For research reference only
Carbuterol
carbuterol · Carbuterolum · Unii-0N12jr32mr · Einecs 252-257-5 · Carbuterolum [inn-latin] · [5-[2-(tert-Butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]urea · Urea, N-[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-
Identifiers & Physical Properties
| CAS No. | 34866-47-2 |
|---|---|
| Molecular formula | C13H21N3O3 |
| Average molar mass | 267.32 g/mol |
| Monoisotopic mass | 267.15829154 g/mol |
| SMILES | CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1 |
| InChIKey | KEMXXQOFIRIICG-UHFFFAOYSA-N |
| PubChem CID | 36976 |
| ChEMBL | CHEMBL2110780 |
| ChEBI | CHEBI:135100 |
| EC No. | 252-257-5 |
| DTXSID | DTXSID00865737 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 108 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 304 |
| Human Drugs | Pharmaceuticals |
| Melting point | 174-176° |
| Solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| Physical state | Solid |
| Color | White to Pale Beige |
| Stability | Hygroscopic |
| FDA UNII | 0N12JR32MR |
| ATC code | R03AC10,R03CC10 |
| Toxicity | LD50 in mice (mg/kg): 32.8 i.v.3134.6 orallyin rats: 77.2 i.v. (Wardell) |
Safety & Regulations
| Toxicity | LD50 in mice (mg/kg): 32.8 i.v.3134.6 orallyin rats: 77.2 i.v. (Wardell) |
|---|
Applications & Uses
Uses
Bronchodilator.
Uses
Carbuterol is a beta-adrenoceptor binding drug.