Mrv0541 05221415012D          

 18 20  0  0  0  0            999 V2000
   13.8082   -7.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8082   -8.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5228   -7.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5228   -9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2372   -7.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2372   -8.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1061   -6.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9394   -6.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1530   -6.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425   -7.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5696   -5.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5592   -6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7727   -5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9030   -7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8926   -6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4864   -6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4759   -5.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2728   -5.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <ID>
CHEBI:8058

> <NAME>
phencyclidine

> <DEFINITION>
A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group.  Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.

> <STAR>
3

> <SYNONYM>
Phencyclidine; PCP

> <IUPAC_NAME>
1-(1-phenylcyclohexyl)piperidine

> <INN>
phencyclidinum; phencyclidine; fenciclidina

> <FORMULA>
C17H25N

> <MASS>
243.38710

> <MONOISOTOPIC_MASS>
243.19870

> <CHARGE>
0

> <SMILES>
C1CCN(CC1)C1(CCCCC1)c1ccccc1

> <INCHI>
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

> <INCHIKEY>
JTJMJGYZQZDUJJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
77-10-1

> <REAXYS_REGISTRY_NUMBER>
20976544

> <CHEMIDPLUS>
77-10-1

> <DRUGBANK_ACCESSION>
DB03575

> <KEGG_COMPOUND_ACCESSION>
C07575

> <PDBECHEM_ACCESSION>
1PC

> <WIKIPEDIA_ACCESSION>
Phencyclidine

> <PUBMED_CITATION>
10379517; 10696810; 12206280; 17265073; 22467667; 7250199; 7968937; 8103992; 8855512; 9007505; 9786848

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