sarpogrelate
  CDK     0223171739
null
 32 33  0  0  0  0  0  0  0  0999 V2000
   -0.6374   -4.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476   -4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0973   -3.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529   -3.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -4.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630   -3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031   -2.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -2.7742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331   -4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -3.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9533   -2.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3035   -1.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -2.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335   -3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436   -3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1137   -4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9238   -4.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1939   -5.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538   -5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436   -5.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5736   -4.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3035   -6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5736   -7.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432   -4.4893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -3.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -5.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877   -4.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176   -3.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  7  5  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 12  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  2  0  0  0  0 
 24 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 10 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
  2 31  2  0  0  0  0 
  2 32  1  0  0  0  0 
M  END
> <ID>
CHEBI:135697

> <NAME>
sarpogrelate

> <STAR>
2

> <SYNONYM>
sarpogrelate hydrochloride; sarpogrelate HCl; MCI-9042; anplag

> <FORMULA>
C24H31NO6

> <MASS>
429.507

> <MONOISOTOPIC_MASS>
429.21514

> <CHARGE>
0

> <SMILES>
C(C(=O)O)CC(OC(COC=1C=CC=CC1CCC=2C=CC=C(C2)OC)([H])CN(C)C)=O

> <INCHI>
InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)

> <INCHIKEY>
FFYNAVGJSYHHFO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
125926-17-2

$$$$