Isoetharine hydrochloride

Base Information

• Chemical Name: Isoetharine hydrochloride
• CAS No.: 50-96-4
• Deprecated CAS: 79458-79-0
• Molecular Formula: C13H21 N O3 . Cl H
• Molecular Weight: 275.776
• Hs Code.: 2922509090
• European Community (EC) Number: 219-927-9
• DSSTox Substance ID: DTXSID001018907
• NCI Thesaurus Code: C65975
• ChEMBL ID: CHEMBL1200920
• Mol file: 50-96-4.mol

Synonyms:Isoetharine hydrochloride;50-96-4;Isoetharine Hcl;Isoetarine hydrochloride;Numotac hydrochloride;Dilabron hydrochloride;Isoetarin hydrochloride;Neosuprel hydrochloride;Neoisuprel hydrochloride;Bronkometer hydrochloride;Isoethraine hydrochloride;Etyprenaline hydrochloride;Isoetharine hydrochloride [USP];Isothurin hydrochloride;Isoctarine hydrochloride;2576-92-3;Isoetharine (hydrochloride);Bronkosol;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride;WIN 3046;1-(3,4-Dihydroxyphenyl)-2-isopropylamino-1-butanol hydrochloride;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol hydrochloride;Isoetharine hydrochloride (USP);BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-(1-(ISOPROPYLAMINO)PROPYL)-, HYDROCHLORIDE;1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, hydrochloride;C13H21NO3.ClH;Isoetharine hydrochloride [BAN];Isoethraine HCl;BETA-2 (TN);SCHEMBL211343;CHEMBL1200920;HY-B1481B;(R,*)-(+-)-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocatechol hydrochloride;1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, hydrochloride, (R*,S*)-;DTXSID001018907;CAA57692;(R,*)-(+/-)-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocatechol hydrochloride;LS-42878;CS-0031429;D02093;(R,*)-()-4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]pyrocatechol hydrochloride

Chemical Property of Isoetharine hydrochloride

Chemical Property:

• Melting Point: 170-171℃
• Boiling Point: 429.3°Cat760mmHg
• Flash Point: 156.7°C
• PSA: 72.72000
• Density: g/cm³
• LogP: 3.10070
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 275.1288213
• Heavy Atom Count: 18
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

Isoetharine hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.Cl
• Uses: Isoetharine Hydrochloride is hydrochloride salt of isoetharine which is β2-adrenergic receptor agonist. It can be used to give quick relief for bronchospasm and asthma. However, It may be potent in producing resistantce to β-adrenoceptor stimulants.
• Clinical Use: The α-ethyl group confers β2-selectivity, and the β-hydroxyl group and catechol nucleus makes this a direct-acting drug. It is susceptible to COMT metabolism; however, the α-ethyl group inhibits MAO. Therefore, one would expect some oral activity.