U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H20Cl3N4O
Molecular Weight 462.779
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of RIMONABANT IMINIUM ION CYTOTOXIC METABOLITE

SMILES

CC1=C(N(N=C1C(=O)N[N+]2=CCCCC2)C3=C(Cl)C=C(Cl)C=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=XHVWFCIXCFGBLU-UHFFFAOYSA-O
InChI=1S/C22H19Cl3N4O/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/h5-11,13H,2-4,12H2,1H3/p+1

HIDE SMILES / InChI

Molecular Formula C22H20Cl3N4O
Molecular Weight 462.779
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2LS8CVE2X7
Record Status Validated (UNII)
Record Version