Product Code

TRC-P211002

CAS Number

1346602-97-8

Product Format

Neat

Molecular Formula

C16H11D4FN2O4 • CH4O3S

Molecular Weight

418.43

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

163680-77-1

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Pazufloxacin-d4 Mesylate

CAS Number

1346602-97-8

Molecular Formula

C16H11D4FN2O4 • CH4O3S

Molecular Weight

418.43

Accurate Mass

418.12

SMILES

FC1=CC2=C3N(C=C(C2=O)C(O)=O)[C@H](COC3=C1C4(N)C([2H])(C4([2H])[2H])[2H])C.O=S(O)(C)=O

InChI

InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1/i2D2,3D2;

IUPAC

(S)-10-(1-aminocyclopropyl-2,2,3,3-d4)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid--methanesulfonic acid (1/1)

Unlabelled CAS Number

163680-77-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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