input word = C00053749

Metabolite InformationStructural formula
Name Rimonabant
Formula C22H21Cl3N4O
Mw 462.07809445
CAS RN 168273-06-1
C_ID C00053749
InChIKey JZCPYUJPEARBJL-UHFFFAOYSA-N
InChICode InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
SMILES Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia officinalis Ref.
zoom in