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Basic information
- CAS
75626-99-2- Standard SMILES
Cc1ccc(C(=O)Oc2cc(OC(=O)c3ccc(C)cc3)cc(C(O)CNC(C)(C)C)c2)cc1- InChIKey
GYJSIOWQEUTITA-UHFFFAOYSA-N- Molecular formula
- C28H31NO5
- Average molar mass
- 461.558 g/mol
- Monoisotopic mass
- 461.22022309
Names & identifiers
- Preferred name
- 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(4-methylbenzoate)
- IUPAC
- 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(4-methylbenzoate)
- English name
- Tobuterol
- Molecular formula
- C28H31NO5
- Molecular weight
- 461.55
Names & synonyms
TOBUTEROCTobuterolBitolterol Impurity 21 (Tobuterol)[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate[3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoateBenzoic acid, 4-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester (9CI)4-methylbenzoic acid [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-methylbenzoyl)oxy-phenyl] ester
Database identifiers
- CAS
75626-99-2- PubChem CID
- 178147
- DTXSID
DTXSID80868367- ChEMBL
CHEMBL2105513- ChEBI
CHEBI:135751- UNII
- 17B9PXO2SW
Properties
Physicochemical properties
- Boiling point
- 629.5 · 629.5±55.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 13.69 · 13.69±0.20(Predicted)
- FDA UNII
- 17 B9PXO2SW · 17B9PXO2SW
Chemistry & industry
Suppliers2 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Tobuterol is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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