ChemicalBook--->CAS DataBase List--->898542-80-8

898542-80-8

898542-80-8 Structure

898542-80-8 Structure
IdentificationBack Directory
[Name]

SalbutaMol IMpurity K
[CAS]

898542-80-8
[Synonyms]

SalbutaMol IMpurity K
Albuterol EP Impurity K
Salbutamol EP Impurity K
Salbutamol EP Impurity K HCl
Salbutamol Sulfate EP Impurity K
Salbutamol EP Impurity K Trifluoroacetic acid
Salbutamol Impurity 11(Salbutamol EP Impurity K)
2-(tert-butylamino)-1-(3-chloro-4-hydroxy-5-(hydroxymethyl)phenyl)ethanone
Ethanone, 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)phenyl]-2-[(1,1-dimethylethyl)amino]-
Salbutamol impurity 10/Salbutamol EP Impurity K/2-[(1,1-Dimethylethyl)amino]-1-[3-chloro-4-hydroxy-5(hydroxymethyl)phenyl] ethanone
[Molecular Formula]

C13H18ClNO3
[MDL Number]

MFCD34593695
[MOL File]

898542-80-8.mol
[Molecular Weight]

271.74
Chemical PropertiesBack Directory
[Boiling point ]

403.6±34.0 °C(Predicted)
[density ]

1.234±0.06 g/cm3(Predicted)
[pka]

5.98±0.25(Predicted)
[Major Application]

pharmaceutical
[InChI]

1S/C13H18ClNO3/c1-13(2,3)15-6-11(17)8-4-9(7-16)12(18)10(14)5-8/h4-5,15-16,18H,6-7H2,1-3H3
[InChIKey]

XGPDAKVHCAQAPH-UHFFFAOYSA-N
[SMILES]

Clc1c(c(cc(c1)C(=O)CNC(C)(C)C)CO)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

m-Chloro Salbutamon Hydrochloride is an impurity of Albuterol (A514500, H2SO4), also known as Salbutamol; a β2-adrenoceptor agonist, bronchodilator, and tocolytic.
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