Marvin  05021316012D          

 18 19  0  0  0  0            999 V2000
    0.7366   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221   -4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366   -4.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -4.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366   -2.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5945   -2.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5945   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7379   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:73364

> <NAME>
8-OH-DPAT

> <DEFINITION>
A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively

> <STAR>
3

> <SYNONYM>
8-Hydroxy-2-(di-n-propylamino)tetralin

> <IUPAC_NAME>
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <FORMULA>
C16H25NO

> <MASS>
247.37580

> <MONOISOTOPIC_MASS>
247.19361

> <CHARGE>
0

> <SMILES>
CCCN(CCC)C1CCc2cccc(O)c2C1

> <INCHI>
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3

> <INCHIKEY>
ASXGJMSKWNBENU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
78950-78-4

> <REAXYS_REGISTRY_NUMBER>
3546291

> <CHEMIDPLUS>
78950-78-4

> <LINCS_ACCESSION>
LSM-21609

> <WIKIPEDIA_ACCESSION>
8-OH-DPAT

> <PUBMED_CITATION>
22727480; 23249525; 23303072; 23336054; 23395768; 23551660; 235975627

$$$$