Bioactive Compound Details

BioIDbio200012
NameISOETHARINE HYDROCHLORIDE
ChEMBL IDCHEMBL1200920
Molecular FormulaC13H22ClNO3
Molecular Weight275.78
Molecular Weight (Monoisotopic)239.1521
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsASTHMALITAN|BETA-2|BRONKOSOL|DL-ISOETHARINE HYDROCHLORIDE|ISOETARINE HYDROCHLORIDE|ISOETHARINE HCL|ISOETHARINE HYDROCHLORIDE|ISOETHARINE HYDROCHLORIDE S/F|NUMOTAC
SmilesCCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl
InchiInChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H
Inchi KeyMUFDLGGSOCHQOC-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score0.58
Records Key['ISOETHARINE HYDROCHLORIDE', 'ISOETHARINE HYDROCHLORIDE', 'ISOETHARINE HYDROCHLORIDE']
Records Name['ISOETHARINE HYDROCHLORIDE', 'ISOETHARINE HYDROCHLORIDE', 'ISOETHARINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure