Analyte Name

S-Propionoxymethyl-Salubrinal Hydrobromide

Molecular Formula

C25 H23 Cl3 N4 O3 S . HBr

Molecular Weight

646.811

Accurate Mass

643.982

SMILES

Br.CCC(=O)OCS\C(=N\c1cccc2cccnc12)\NC(NC(=O)\C=C\c3ccccc3)C(Cl)(Cl)Cl

InChI

InChI=1S/C25H23Cl3N4O3S.BrH/c1-2-21(34)35-16-36-24(30-19-12-6-10-18-11-7-15-29-22(18)19)32-23(25(26,27)28)31-20(33)14-13-17-8-4-3-5-9-17;/h3-15,23H,2,16H2,1H3,(H,30,32)(H,31,33);1H/b14-13+;

IUPAC

[(E)-N'-quinolin-8-yl-N-[2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]carbamimidoyl]sulfanylmethyl propanoate;hydrobromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat