Marvin  03300709142D          
 
 21 22  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
    1.4445   -2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564   -2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -2.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4393    1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1511    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    0.4260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -2.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  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
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 20  2  0  0  0  0
 21 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:6762

> <NAME>
mepyramine

> <DEFINITION>
An ethylenediamine derivative that is  ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.

> <STAR>
3

> <SYNONYM>
Pyrilamine; pyranisamine; N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine; N-(p-methoxybenzyl)-N',N'-dimethyl-N-(alpha-pyridyl)ethylenediamine; N',N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)ethylenediamine; Mepyramine

> <IUPAC_NAME>
N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine

> <FORMULA>
C17H23N3O

> <MASS>
285.38414

> <MONOISOTOPIC_MASS>
285.18411

> <CHARGE>
0

> <SMILES>
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1

> <INCHI>
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

> <INCHIKEY>
YECBIJXISLIIDS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
269019

> <CAS_REGISTRY_NUMBER>
91-84-9

> <GMELIN_REGISTRY_NUMBER>
877512

> <REAXYS_REGISTRY_NUMBER>
269019

> <CHEMIDPLUS>
91-84-9

> <DRUGBANK_ACCESSION>
DB06691

> <KEGG_COMPOUND_ACCESSION>
C11798

> <KEGG_DRUG_ACCESSION>
D08183

> <LINCS_ACCESSION>
LSM-4206

> <NIST_CHEMISTRY_WEBBOOK>
91-84-9

> <WIKIPEDIA_ACCESSION>
Pyrilamine

> <PUBMED_CITATION>
24316866; 24813183

$$$$