Marvin  03071215552D          

 23 24  0  0  0  0            999 V2000
    8.9062   -4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9062   -3.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099   -4.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868   -4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099   -5.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   -4.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868   -5.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   -5.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.6022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3254   -4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7966   -4.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0575   -4.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3482   -4.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1397   -5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9460   -5.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9536   -3.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488   -3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868   -3.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   -2.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868   -6.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6834   -6.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868   -7.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170   -6.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  9  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 18  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
 20  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 16 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
> <ID>
CHEBI:32168

> <NAME>
sulpiride

> <DEFINITION>
A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.

> <STAR>
3

> <SYNONYM>
Sulpyrid; Sulpirid; N-((1-Ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide; N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-sulfamoylbenzamide; 5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide; (+-)-sulpiride

> <IUPAC_NAME>
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

> <INN>
sulpiridum; sulpiride; sulpirida

> <FORMULA>
C15H23N3O4S

> <MASS>
341.42600

> <MONOISOTOPIC_MASS>
341.14093

> <CHARGE>
0

> <SMILES>
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O

> <INCHI>
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)

> <INCHIKEY>
BGRJTUBHPOOWDU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15676-16-1

> <REAXYS_REGISTRY_NUMBER>
494008

> <CHEMIDPLUS>
15676-16-1

> <DRUGBANK_ACCESSION>
DB00391

> <KEGG_DRUG_ACCESSION>
D01226

> <LINCS_ACCESSION>
LSM-5080

> <NIST_CHEMISTRY_WEBBOOK>
15676-16-1

> <WIKIPEDIA_ACCESSION>
Sulpiride

> <PUBMED_CITATION>
16327907; 16924461; 17912501; 17942035; 18757738; 18985321; 19370694; 19546258; 19672580; 19864199; 19941957; 20061345; 20091661; 20177884; 20304506; 20305607; 20538381; 20599913; 20875676

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