Catalog Number:
AG009CKQ
Chemical Name:
ZK200775 (hydrate)
CAS Number:
1255517-78-2
Molecular Formula:
C14H17F3N3O7P
Molecular Weight:
427.2697
MDL Number:
MFCD07364000
IUPAC Name:
[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid;hydrate
InChI:
InChI=1S/C14H15F3N3O6P.H2O/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9;/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25);1H2
InChI Key:
RYQLMFHPDNKPKY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F.O
