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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClN2O3
Molecular Weight 316.739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-HYDROXYCLOBAZAM

SMILES

CN1C2=C(C=C(Cl)C=C2)N(C3=CC=C(O)C=C3)C(=O)CC1=O

InChI

InChIKey=NKSXJAYACJZMBM-UHFFFAOYSA-N
InChI=1S/C16H13ClN2O3/c1-18-13-7-2-10(17)8-14(13)19(16(22)9-15(18)21)11-3-5-12(20)6-4-11/h2-8,20H,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H13ClN2O3
Molecular Weight 316.739
Charge 0
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
ECC73ABC7G
Record Status Validated (UNII)
Record Version