mitiglinide
  CDK     0223171736
null
 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3561   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3581   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -1.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703   -2.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.9729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0703   -3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -3.2110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5009   -2.3862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5009   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -0.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3581   -0.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2130   -3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2130   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293   -3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -4.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -1.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  5  2  1  1  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
 10  6  1  0  0  0  0 
 11  7  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 11 10  1  0  0  0  0 
 10 15  1  0  0  0  0 
 10 24  1  1  0  0  0 
 11 16  1  0  0  0  0 
 11 25  1  1  0  0  0 
 12 17  2  0  0  0  0 
 12 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 18 22  2  0  0  0  0 
 19 20  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:135349

> <NAME>
mitiglinide

> <STAR>
2

> <SYNONYM>
S 21403; mitiglinide calcium hydrate; mitiglinide calcium; KAD-1229

> <FORMULA>
C19H25NO3

> <MASS>
315.407

> <MONOISOTOPIC_MASS>
315.18344

> <CHARGE>
0

> <SMILES>
C(C[C@H](CC1=CC=CC=C1)C(O)=O)(=O)N2C[C@]3([C@@](C2)(CCCC3)[H])[H]

> <INCHI>
InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1

> <INCHIKEY>
WPGGHFDDFPHPOB-BBWFWOEESA-N

> <CAS_REGISTRY_NUMBER>
145375-43-5

$$$$