Marvin  11150712032D          
 
 22 24  0  0  0  0            999 V2000
    0.0000   -0.8250    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
    0.9269    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
    0.7145   -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
    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
    0.7145   -1.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4 22  1  0  0  0  0
 22  6  1  0  0  0  0
 22  1  1  0  0  0  0
  1 20  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
 20 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:9738

> <NAME>
trimipramine

> <DEFINITION>
A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.

> <STAR>
3

> <SYNONYM>
Trimipramine; trimeproprimine; Trimeprimine; Sapilent; RP-7162; beta-methylimipramine; 5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5H-dibenz[b,f]azepine; 5-(gamma-dimethylamino-beta-methylpropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine; 10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propanamine

> <IUPAC_NAME>
3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine

> <FORMULA>
C20H26N2

> <MASS>
294.43392

> <MONOISOTOPIC_MASS>
294.20960

> <CHARGE>
0

> <SMILES>
CC(CN(C)C)CN1c2ccccc2CCc2ccccc12

> <INCHI>
InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3

> <INCHIKEY>
ZSCDBOWYZJWBIY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1321466

> <CAS_REGISTRY_NUMBER>
739-71-9

> <REAXYS_REGISTRY_NUMBER>
1321466

> <CHEMIDPLUS>
739-71-9

> <DRUGBANK_ACCESSION>
DB00726

> <KEGG_DRUG_ACCESSION>
D00394

> <LINCS_ACCESSION>
LSM-1371

> <NIST_CHEMISTRY_WEBBOOK>
739-71-9

> <WIKIPEDIA_ACCESSION>
Trimipramine

> <PUBMED_CITATION>
22642681; 25178259

$$$$