Product Code

TRC-N389837

Product Format

Neat

Molecular Formula

C20H21D4N3O4 • C4H6O5

Molecular Weight

518.54

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

951163-60-3; Free Base: 378746-64-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Nemonoxacin-D4 Malate Salt

Molecular Formula

C20H21D4N3O4 • C4H6O5

Molecular Weight

518.54

Accurate Mass

518.23

SMILES

N[C@@H]1CN(C[C@H](C1)C)C2=CC=C(C3=C2OC)C(C(C(O)=O)=CN3C4C([2H])(C4([2H])[2H])[2H])=O.OC(C(O)=O)CC(O)=O

InChI

InChI=1S/C20H25N3O4.C4H6O5/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26;5-2(4(8)9)1-3(6)7/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26);2,5H,1H2,(H,6,7)(H,8,9)/t11-,12-;/m0./s1/i3D2,4D2;

IUPAC

2-hydroxysuccinic acid--7-((3S,5S)-3-amino-5-methylpiperidin-1-yl)-1-(cyclopropyl-2,2,3,3-d4)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (1/1)

Unlabelled CAS Number

951163-60-3; Free Base: 378746-64-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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