nipradilol
  CDK     0222171958

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0041   -1.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252   -1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7085   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4252   -2.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -4.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293   -2.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7085   -4.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8545   -1.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293   -4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713   -1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -4.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859   -1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713   -0.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -4.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5713   -4.0463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5713   -3.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2859   -4.4600    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 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 10 15  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
M  CHG  1  21   1
M  CHG  1  23  -1
M  END
> <ID>
CHEBI:31682

> <NAME>
Hypadil (TN)

> <STAR>
2

> <SYNONYM>
nipradolol; Nipradilol; Hypadil (TN); hypadil

> <FORMULA>
C15H22N2O6; C15H22N2O6

> <MASS>
326.346

> <MONOISOTOPIC_MASS>
326.14779

> <CHARGE>
0

> <SMILES>
O(CC(CNC(C)C)O)C1=C2C(CC(CO2)O[N+](=O)[O-])=CC=C1

> <INCHI>
InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3

> <INCHIKEY>
OMCPLEZZPVJJIS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
81486-22-8

> <KEGG_DRUG_ACCESSION>
D01691

$$$$