Marvin  11130717272D          
 
 21 23  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269    1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152    1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200    0.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364    0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <ID>
CHEBI:47499

> <NAME>
imipramine

> <DEFINITION>
A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:47498; CHEBI:5881

> <SYNONYM>
N-(gamma-dimethylaminopropyl)iminodibenzyl; imizine; Imipramine; Imipramin; 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine; 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE; 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine

> <IUPAC_NAME>
3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine

> <INN>
imipraminum; imipramine

> <BRAND_NAME>
Melipramine; Irmin; Antideprin

> <FORMULA>
C19H24N2

> <MASS>
280.40734

> <MONOISOTOPIC_MASS>
280.19395

> <CHARGE>
0

> <SMILES>
CN(C)CCCN1c2ccccc2CCc2ccccc12

> <INCHI>
InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3

> <INCHIKEY>
BCGWQEUPMDMJNV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
256892

> <CAS_REGISTRY_NUMBER>
50-49-7

> <GMELIN_REGISTRY_NUMBER>
1572523

> <REAXYS_REGISTRY_NUMBER>
256892

> <CHEMIDPLUS>
50-49-7

> <DRUGBANK_ACCESSION>
DB00458

> <KEGG_COMPOUND_ACCESSION>
C07049

> <KEGG_DRUG_ACCESSION>
D08070

> <LINCS_ACCESSION>
LSM-2852

> <NIST_CHEMISTRY_WEBBOOK>
50-49-7

> <PDBECHEM_ACCESSION>
IXX

> <WIKIPEDIA_ACCESSION>
Imipramine

> <PUBMED_CITATION>
20825390

$$$$