betoxycaine
  CDK     0223171737
null
 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.3562   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -1.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2160   -1.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2160   -3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9305   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6449   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3594   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3594   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0738   -3.2120    0.0000 C   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 
  2  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:135487

> <NAME>
betoxycaine

> <STAR>
2

> <SYNONYM>
betoxycaine hydrochloride; betoxycaine HCl; bethoxycaine monohydrochloride; bethoxycaine

> <FORMULA>
C19H32N2O4

> <MASS>
352.469

> <MONOISOTOPIC_MASS>
352.23621

> <CHARGE>
0

> <SMILES>
C(OCCOCCN(CC)CC)(=O)C1=CC(N)=C(C=C1)OCCCC

> <INCHI>
InChI=1S/C19H32N2O4/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3/h8-9,15H,4-7,10-14,20H2,1-3H3

> <INCHIKEY>
CXYOBRKOFHQONJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3818-62-0

$$$$