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 ClC(C=C1)=CC=C1C2=C(C)C(C(NN3CCCCC3)=O)=NN2C4=CC=C(Cl)C=C4Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia officinalis Ref.
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