Marvin  01111115472D          

 20 20  0  0  0  0            999 V2000
   10.3291   -7.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3253   -9.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816   -7.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4809   -7.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1735   -9.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0298   -7.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0257   -9.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4770   -5.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6206   -7.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8742   -9.8709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -7.2176    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4771   -9.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0761   -7.2095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7725   -7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9243   -7.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0758   -5.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2282   -7.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4777  -11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2273   -5.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3798   -7.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
 12  2  1  0  0  0  0
  6  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  2  0  0  0  0
 11  6  1  0  0  0  0
 10  7  1  0  0  0  0
 14  9  1  0  0  0  0
 18 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 15 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
> <ID>
CHEBI:107736

> <NAME>
metoclopramide

> <DEFINITION>
A member of the class of  benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6898

> <SYNONYM>
4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide; 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide; 4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide; 2-methoxy-5-chloroprocainamide; 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide

> <IUPAC_NAME>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

> <INN>
metoclopramidum; metoclopramide; metoclopramida

> <BRAND_NAME>
Reliveran; Elieten

> <FORMULA>
C14H22ClN3O2

> <MASS>
299.79600

> <MONOISOTOPIC_MASS>
299.14005

> <CHARGE>
0

> <SMILES>
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC

> <INCHI>
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)

> <INCHIKEY>
TTWJBBZEZQICBI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
364-62-5

> <REAXYS_REGISTRY_NUMBER>
1884366

> <CHEMIDPLUS>
364-62-5

> <DRUGBANK_ACCESSION>
DB01233

> <KEGG_COMPOUND_ACCESSION>
C07868

> <KEGG_DRUG_ACCESSION>
D00726

> <LINCS_ACCESSION>
LSM-3689

> <WIKIPEDIA_ACCESSION>
Metoclopramide

$$$$