CAS No. 954126-98-8

 

Product Information

Chemical Formula: C19H21ClFN3O4S
Molecular Weight:441.9
Synonyms:Danirixin; GSK1325756; Danirixin (GSK1325756); Solabegron Hydrochloride; Danirixin HCl
MDL No.:MFCD27987922
EINECS / EC No.:N/A
Pubchem CID:24780598
IUPAC Name:1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
Standard InchI:InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1
InchI Key:NGYNBSHYFOFVLS-LBPRGKRZSA-N
SMILES:CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3CCCNC3)O
Appearance:-
Melting Point:N/A
Boiling Point:533.1±50.0 °C at 760 mmHg
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07