mecloxamine
  CDK     0223171736
null
 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.3582   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -4.4485    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   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -4.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -1.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -4.4485    0.0000 Cl  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 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  9 15  1  0  0  0  0 
 10 16  2  0  0  0  0 
 11 17  1  0  0  0  0 
 13 18  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:135360

> <NAME>
mecloxamine

> <STAR>
2

> <SYNONYM>
mecloxamine citrate

> <FORMULA>
C19H24ClNO

> <MASS>
317.854

> <MONOISOTOPIC_MASS>
317.15464

> <CHARGE>
0

> <SMILES>
C(OC(CN(C)C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2

> <INCHI>
InChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3

> <INCHIKEY>
WILANEPAIMJUCP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5668-06-4

$$$$