4-Ethoxy-[1,3,2]dioxaborinino[5,6-c]quinoline-2,2-diyl Orbifloxacin-d4 Diacetate

Analyte Name

4-Ethoxy-[1,3,2]dioxaborinino[5,6-c]quinoline-2,2-diyl Orbifloxacin-d4 Diacetate

Molecular Formula

C25 D4 H27 B F3 N3 O7

Molecular Weight

557.36

Accurate Mass

557.246

SMILES

[2H]C1([2H])C(N2C=C3C(OCC)O[B](OC(=O)C)(OC(=O)C)[O]=C3c4c(F)c(F)c(N5C[C@@H](C)N[C@@H](C)C5)c(F)c24)C1([2H])[2H]

InChI

InChI=1S/C25H31BF3N3O7/c1-6-35-25-17-11-32(16-7-8-16)22-18(24(17)38-26(39-25,36-14(4)33)37-15(5)34)19(27)20(28)23(21(22)29)31-9-12(2)30-13(3)10-31/h11-13,16,25,30H,6-10H2,1-5H3/t12-,13+,25?/i7D2,8D2

IUPAC

[4-acetyloxy-12-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-ethoxy-11,13,14-trifluoro-9-(2,2,3,3-tetradeuteriocyclopropyl)-3?3,5-dioxa-9-aza-4?4-boratricyclo[8.4.0.02,7]tetradeca-1(14),2,7,10,12-pentaen-4-yl] acetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat