Catalog Number:
AG006YV9
Chemical Name:
(S)-2-Aminosuccinic acid 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (1:1)
CAS Number:
211690-33-4
Molecular Formula:
C21H26F2N4O7
Molecular Weight:
484.4505
MDL Number:
MFCD09840840
IUPAC Name:
(2S)-2-aminobutanedioic acid;1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C17H19F2N3O3.C4H7NO4/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;5-2(4(8)9)1-3(6)7/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
InChI Key:
YCOJCBAVYZZKRS-WNQIDUERSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)N.CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F
