Analyte Name

Argatroban N-Oxide

Molecular Formula

C23 H36 N6 O6 S

Molecular Weight

524.634

Accurate Mass

524.242

SMILES

C[C@@H]1CCN([C@@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3CC(C)CN(=O)c23

InChI

InChI=1S/C23H35N6O6S/c1-14-8-10-28(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)27-36(34,35)19-7-3-5-16-11-15(2)13-29(33)20(16)19/h3,5,7,14-15,17-18,27H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17?,18+/m1/s1

IUPAC

(2S,4R)-1-[5-carbamimidamido-2-[(3-methyl-1-oxo-3,4-dihydro-2H-quinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat