Marvin  12131014122D          

 17 19  0  0  0  0            999 V2000
    7.0450  -11.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450  -12.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544  -11.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544  -12.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693  -11.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4694  -12.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2265  -10.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2821  -10.4418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8844   -9.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9844   -9.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4179  -10.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5124   -9.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3656   -9.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6942   -9.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1089  -10.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0259   -9.6540    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
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
> <ID>
CHEBI:60805

> <NAME>
rolicyclidine

> <DEFINITION>
Pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group.

> <STAR>
3

> <SYNONYM>
PCPy

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

> <INN>
rolicyclidinum; rolicyclidine; roliciclidina

> <FORMULA>
C16H23N

> <MASS>
229.36050

> <MONOISOTOPIC_MASS>
229.18305

> <CHARGE>
0

> <SMILES>
C1CCC(CC1)(N1CCCC1)c1ccccc1

> <INCHI>
InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2

> <INCHIKEY>
FYOWWXMGDATDQY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2201-39-0

> <REAXYS_REGISTRY_NUMBER>
1428458

> <CHEMIDPLUS>
2201-39-0

> <DRUGBANK_ACCESSION>
DB01549

$$$$