Mrv0541 11181414322D          

 18 19  0  0  0  0            999 V2000
    5.1890   -6.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   -6.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323   -6.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0469   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0469   -4.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4757   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1902   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9047   -4.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6191   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3336   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3336   -4.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9047   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6191   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
  5 18  1  0  0  0  0
M  END
> <ID>
CHEBI:83531

> <NAME>
moclobemide

> <DEFINITION>
A member of the class of  benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.

> <STAR>
3

> <IUPAC_NAME>
4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

> <INN>
moclobemidum; moclobemide; moclobemida

> <FORMULA>
C13H17ClN2O2

> <MASS>
268.73900

> <MONOISOTOPIC_MASS>
268.09786

> <CHARGE>
0

> <SMILES>
Clc1ccc(cc1)C(=O)NCCN1CCOCC1

> <INCHI>
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

> <INCHIKEY>
YHXISWVBGDMDLQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
71320-77-9

> <REAXYS_REGISTRY_NUMBER>
530974

> <CHEMIDPLUS>
71320-77-9

> <DRUGBANK_ACCESSION>
DB01171

> <KEGG_DRUG_ACCESSION>
D02561

> <LINCS_ACCESSION>
LSM-5247

> <NIST_CHEMISTRY_WEBBOOK>
71320-77-9

> <PUBMED_CITATION>
23616181; 24859491; 24863864; 25335956

$$$$