Marvin  03300709392D          

 18 19  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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    2.3174    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
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
 17  2  1  0  0  0  0
  4 17  1  0  0  0  0
  2 18  2  0  0  0  0
 16  2  1  0  0  0  0
 18  3  1  0  0  0  0
  3  4  2  0  0  0  0
 10  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <ID>
CHEBI:6820

> <NAME>
methapyrilene

> <DEFINITION>
A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group.

> <STAR>
3

> <SYNONYM>
thenylpyramine; Pyrathyn; N-(alpha-pyridyl)-N-(alpha-thenyl)-N',N'-dimethylethylenediamine; N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine; N,N-dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamine; methypyrilene; Methapyrilene; Lullamin; Histadyl; 2-[[2-(dimethylamino)ethyl]-2-thenylamino]pyridine

> <IUPAC_NAME>
N,N-dimethyl-N'-pyridin-2-yl-N'-[(thiophen-2-yl)methyl]ethane-1,2-diamine

> <BRAND_NAME>
Thionylan; Thenylene; Sleepwell; Semikon; Restryl; Rest-on; Pyrinistol; Pyrinistab; Pyrathyn; Paradormalene; Lullamin; Histadyl

> <FORMULA>
C14H19N3S

> <MASS>
261.38688

> <MONOISOTOPIC_MASS>
261.12997

> <CHARGE>
0

> <SMILES>
CN(C)CCN(Cc1cccs1)c1ccccn1

> <INCHI>
InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3

> <INCHIKEY>
HNJJXZKZRAWDPF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
220729

> <CAS_REGISTRY_NUMBER>
91-80-5

> <REAXYS_REGISTRY_NUMBER>
220729

> <CHEMIDPLUS>
91-80-5

> <DRUGBANK_ACCESSION>
DB04819

> <KEGG_COMPOUND_ACCESSION>
C11114

> <LINCS_ACCESSION>
LSM-5582

> <NIST_CHEMISTRY_WEBBOOK>
91-80-5

> <WIKIPEDIA_ACCESSION>
Methapyrilene

> <PUBMED_CITATION>
11137066; 22015589; 24486436

$$$$