Catalog Number:
AG00CKVE
Chemical Name:
ABT-492 MegluMine
CAS Number:
352458-37-8
Molecular Formula:
C25H29ClF3N5O9
Molecular Weight:
635.9741
MDL Number:
MFCD26142921
IUPAC Name:
1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChI Key:
AHJGUEMIZPMAMR-WZTVWXICSA-N
SMILES:
OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F.CNCC(C(C(C(CO)O)O)O)O
UNII:
N7V53U4U4T
