Tobuterol
[CAS# 75626-99-2]

Identification

• Name: Tobuterol
• Synonyms: [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-(4-Methylbenzoyl)Oxy-Phenyl] 4-Methylbenzoate; 4-Methylbenzoic Acid [3-[2-(Tert-Butylamino)-1-Hydroxyethyl]-5-[(4-Methylphenyl)-Oxomethoxy]Phenyl] Ester; 4-Methylbenzoic Acid [3-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-5-(4-Methylbenzoyl)Oxy-Phenyl] Ester
• Molecular Formula: C₂₈H₃₁NO₅
• Molecular Weight: 461.56
• CAS Registry Number: 75626-99-2
• SMILES: C2=C(OC(C1=CC=C(C)C=C1)=O)C=C(C=C2C(CNC(C)(C)C)O)OC(C3=CC=C(C=C3)C)=O
• InChI: 1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-23-14-22(25(30)17-29-28(3,4)5)15-24(16-23)34-27(32)21-12-8-19(2)9-13-21/h6-16,25,29-30H,17H2,1-5H3
• InChIKey: GYJSIOWQEUTITA-UHFFFAOYSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 629.527°C at 760 mmHg (Cal.)
• Flash point: 334.526°C (Cal.)