I3639

Isoetharine mesylate salt

• Synonym(s): 4-[1-Hydroxy-2-[(1-methylethyl)amino]butyl]-1,2-benzenediol mesylate salt
• Empirical Formula (Hill Notation): C₁₃H₂₁NO₃ · CH₄O₃S
• CAS Number: 7279-75-6
• Molecular Weight: 335.42
• NACRES: NA.77
• PubChem Substance ID: 24278491
• UNSPSC Code: 12352200
• EC Number: 230-695-8
• MDL number: MFCD00133422

Properties

• originator: Sanofi Aventis
• Quality Segment: 200
• storage temp.: 2-8°C
• SMILES string: CS(O)(=O)=O.CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
• InChI: 1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)
• InChI key: SOYAGMVKMXZVNZ-UHFFFAOYSA-N
• Gene Information: human ... ADRB1(153), ADRB2(154), ADRB3(155)

Description

Application

Isoetharine mesylate salt has been used:

• as an adrenergic drug to test its effect on embryo implantation in 4-day pregnant mice[1]
• as a substrate for recombinant human sulfotransferase (SULT) in SULT assay to monitor conjugation reaction[2]
• as a β-2 agonist in collision-induced dissociation (CID) mass spectrometry analysis

Biochem/physiol Actions

Isoetharine is an agonist for β-adrenergic receptors and is a bronchodilator. It is a catecholic drug metabolized by sulfotransferases and is present in human urine and plasma as a sulfated metabolite.[2] Catechol O-methyltransferase (COMT) also mediates the methylation of isoetharine in the metabolic conjugation pathway.[2]

Features and Benefits

This compound was developed by Sanofi Aventis. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves