Analyte Name

(2S)-Arimoclomol Maleic Acid

CAS Number

289893-28-3

Molecular Formula

C18H24ClN3O7

Molecular Weight

429.85

Accurate Mass

429.1303

SMILES

O[C@H](CON=C(Cl)c1ccc[n+]([O-])c1)CN2CCCCC2.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C14H20ClN3O3.C4H4O4/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;5-3(6)1-2-4(7)8/h4-5,8-9,13,19H,1-3,6-7,10-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-;/m0./s1

IUPAC

(Z)-but-2-enedioic acid;N-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride

Alternate CAS Number

2R-isomer: 289893-26-1;Racemic: 289893-24-9

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat