Tobuterol

Base Information

• Chemical Name: Tobuterol
• CAS No.: 75626-99-2
• Molecular Formula: C28H31NO5
• Molecular Weight: 461.5494
• UNII: 17B9PXO2SW
• DSSTox Substance ID: DTXSID80868367
• Wikidata: Q27251895
• NCI Thesaurus Code: C76550
• ChEMBL ID: CHEMBL2105513
• Mol file: 75626-99-2.mol

Synonyms:Tobuterol;75626-99-2;Tobuterol [INN];UNII-17B9PXO2SW;17B9PXO2SW;(+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-3-phenylen di-4-toluat;[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;SCHEMBL2733271;CHEMBL2105513;DTXSID80868367;CHEBI:135751;Q27251895;( -)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-3-phenylen di-4-toluat;(+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene di-p-toluate;5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(4-methylbenzoate)

Chemical Property of Tobuterol

Chemical Property:

• Vapor Pressure: 1.03E-16mmHg at 25°C
• Boiling Point: 629.5°Cat760mmHg
• PKA: 13.69±0.20(Predicted)
• Flash Point: 334.5°C
• PSA: 84.86000
• Density: 1.169g/cm³
• LogP: 5.55420
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 461.22022309
• Heavy Atom Count: 34
• Complexity: 614

Purity/Quality:

98%Min ^*data from raw suppliers

TOBUTEROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C