Basic information
- CAS
34866-46-1- Standard SMILES
CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1.Cl- InChIKey
QHWYYBXPBFQGNI-UHFFFAOYSA-N- Molecular formula
- C13H22ClN3O3
- Average molar mass
- 303.78 g/mol
- Monoisotopic mass
- 303.1349693
Overview
See also: Carbuterol (has active moiety).
Names & identifiers
- Preferred name
- Carbuterol Hydrochloride
- IUPAC
- [5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]urea;hydrochloride
- English name
- [5-[2-[(tert-butyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]uronium chloride
- Molecular formula
- C13H22ClN3O3
- Molecular weight
- 303.79
Names & synonyms
CARBUTEROL HYDROCHLORIDECarbuterol HCl34866-46-1BronsecurSK&F 40383G8F3U654FUSK&F-40383Bronsecur (as the base)RefChem:123689252-255-4Carbuterol hydrochloride [USAN][5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]urea;hydrochloride
Show more names
PiremSKF-40383SKF 40383ACarbuterol HeMisulfate SaltN-[5-[2-[(1,1-DiMethylethyl)aMino]-1-hydroxyethyl]-2-hydroxyphenyl]urea Hydrochloride
[5-[2-[(tert-butyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]uronium chlorideUrea, (5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-, monohydrochloride(5-(2-(tert-Butylamino)-1-hydroxyethyl)-2-hydroxyphenyl)urea monohydrochlorideCarbuterol hydrochloride (USAN)(5-(2-((tert-Butyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)uronium chlorideSKF 40383CCRIS 1087EINECS 252-255-4
Database identifiers
- CAS
34866-46-1- PubChem CID
- 36975
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 205 · 205-207° (dec)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 8 F3U654FU · G8F3U654FU
Chemistry & industry
Applications
UsesA β-adrenergic agonist related to isoproterenol with selectivity for airway smooth muscle receptors. Bronchodilator.
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…