Analyte Name

rac cis-Moxifloxacin-d4 Acyl-beta-D-glucuronide

Molecular Formula

C27H28D4FN3O10

Molecular Weight

581.58

Accurate Mass

581.23

SMILES

O[C@@H]([C@H](C(O)=O)O[C@H](OC(C1=CN(C2CC2)C3=C(C1=O)C=C(F)C(N4C([2H])([2H])[C@@](CCCN5)([H])[C@@]5([H])C4([2H])[2H])=C3OC)=O)[C@H]6O)[C@H]6O

InChI

InChI=1S/C27H32FN3O10/c1-39-23-17-13(7-15(28)18(23)30-8-11-3-2-6-29-16(11)10-30)19(32)14(9-31(17)12-4-5-12)26(38)41-27-22(35)20(33)21(34)24(40-27)25(36)37/h7,9,11-12,16,20-22,24,27,29,33-35H,2-6,8,10H2,1H3,(H,36,37)/t11-,16+,20+,21+,22-,24?,27+/m0/s1/i8D2,10D2

IUPAC

(2R,3R,4R,5S,6R)-6-((1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl-5,5,7,7-d4)-4-oxo-1,4-dihydroquinoline-3-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

733002-61-4

Unlabelled CAS Number

733002-61-4

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat