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Product Overview

Product Code

TRC-D153409

Product Format

Neat

Molecular Formula

C19H18D2FN3O3 • x(HCOOH)

Molecular Weight

405.42

Product Categories

TRC, Drugs, Stable isotopes, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

112398-08-0 free base

Documentation

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Product Information

Chemical Data

Analyte Name

Danofloxacin-d2 Formate Salt

Molecular Formula

C19H18D2FN3O3 • x(HCOOH)

Molecular Weight

405.42

SMILES

FC1=CC2=C(C=C1N3[C@@H]4CN(C([2H])[2H])[C@@H](C4)C3)N(C5CC5)C=C(C(O)=O)C2=O.[HCOOH]

InChI

InChI=1S/C19H20FN3O3.CH2O2/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;2-1-3/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H,(H,2,3)/t11-,12-;/m0./s1/i1D2;

IUPAC

1-cyclopropyl-6-fluoro-7-((1S,4S)-5-(methyl-d2)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid formic acid

Unlabelled CAS Number

112398-08-0 free base

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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Danofloxacin-d2 Formate Salt

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