Marvin  05171016202D          

 27 30  0  0  0  0            999 V2000
   19.5579  -10.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8169   -9.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1469   -9.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4059  -10.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4819  -11.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6337  -17.1113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4819  -16.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7855  -16.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4819  -15.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8228  -10.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3301  -14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9373  -17.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3301  -17.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6337  -14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7855  -15.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1783  -15.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1783  -16.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4819  -12.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0265  -14.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0993  -12.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8112   -9.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0265  -13.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3301  -13.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1783  -12.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0761  -10.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3642  -12.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3526  -11.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
 18  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
 13  7  2  0  0  0  0
  9  7  1  0  0  0  0
 12  8  2  0  0  0  0
 15  8  1  0  0  0  0
 11  9  2  0  0  0  0
 14  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 15 14  1  0  0  0  0
 19 16  1  0  0  0  0
 17 16  2  0  0  0  0
 23 18  1  0  0  0  0
 22 19  1  0  0  0  0
 26 20  1  0  0  0  0
 25 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <ID>
CHEBI:31401

> <NAME>
cilostazol

> <DEFINITION>
A lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substituted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:150440

> <SYNONYM>
6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-1H-quinolin-2-one; 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril; 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone; 3,4-dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-2(1H)-quinolinone

> <IUPAC_NAME>
6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one

> <INN>
cilostazolum; cilostazol

> <FORMULA>
C20H27N5O2

> <MASS>
369.46070

> <MONOISOTOPIC_MASS>
369.21648

> <CHARGE>
0

> <SMILES>
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1

> <INCHI>
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)

> <INCHIKEY>
RRGUKTPIGVIEKM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3632017

> <CAS_REGISTRY_NUMBER>
73963-72-1

> <CHEMIDPLUS>
73963-72-1

> <DRUGBANK_ACCESSION>
DB01166

> <KEGG_DRUG_ACCESSION>
D01896

> <LINCS_ACCESSION>
LSM-3491

> <WIKIPEDIA_ACCESSION>
Cilostazol

> <PUBMED_CITATION>
17500510; 9873372

$$$$