S-2-Methoxyacetoxymethyl-Salubrinal Hydrobromide

Analyte Name

S-2-Methoxyacetoxymethyl-Salubrinal Hydrobromide

Molecular Formula

C25 H23 Cl3 N4 O4 S . HBr

Molecular Weight

662.811

Accurate Mass

659.977

SMILES

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

InChI

InChI=1S/C25H23Cl3N4O4S.BrH/c1-35-15-21(34)36-16-37-24(30-19-11-5-9-18-10-6-14-29-22(18)19)32-23(25(26,27)28)31-20(33)13-12-17-7-3-2-4-8-17;/h2-14,23H,15-16H2,1H3,(H,30,32)(H,31,33);1H/b13-12+;

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat