Analyte Name

Nepaprazole

CAS Number

156601-79-5

Molecular Formula

C18 H19 N3 O2 S

Molecular Weight

341.427

Accurate Mass

341.12

SMILES

COc1ccnc2[C@@H](CCCCc12)S(=O)c3nc4ccccc4[nH]3

InChI

InChI=1S/C18H19N3O2S/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,10-11,16H,2,5-6,9H2,1H3,(H,20,21)/t16-,24?/m1/s1

IUPAC

(9R)-9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat