CAS No. 1300031-52-0

 

Product Information

Chemical Formula: C25H23ClN2O3
Molecular Weight:434.91
Synonyms:Gsk1324726A; 4-[(2S,4R)-1-Acetyl-4-[(4-Chlorophenyl)Amino]-2-Methyl-1,2,3,4-Tetrahydro-6-Quinolinyl]Benzoic Acid; Gsk1324726A (I-Bet726); 4-((2S,4R)-1-Acetyl-4-(4-Chlorophenylamino)-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl)Benzoic Acid; 4-[(2S,4R)-1-Acetyl-4-[(4-Chlorophenyl)Amino]-1,2,3,4-Tetrahydro-2-Methyl-6-Quinolinyl]Benzoic Acid; I-Bet726
MDL No.:MFCD28144683
EINECS / EC No.:N/A
Pubchem CID:52912222
IUPAC Name:4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
Standard InchI:InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
InchI Key:FAWSUKOIROHXAP-NPMXOYFQSA-N
SMILES:CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl
Appearance:-
Melting Point:N/A
Boiling Point:707.3±60.0 °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