chlorphenoxamine
  CDK     0223171735
null
 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3582   -2.7984    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
   -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   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -2.7984    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   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -4.4484    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   -4.4484    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   -1.9734    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   -4.4484    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 
  7 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 10 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:135288

> <NAME>
chlorphenoxamine

> <STAR>
2

> <SYNONYM>
chlorphenoxamine hydrochloride

> <FORMULA>
C18H22ClNO

> <MASS>
303.827

> <MONOISOTOPIC_MASS>
303.13899

> <CHARGE>
0

> <SMILES>
C(OCCN(C)C)(C)(C1=CC=C(C=C1)Cl)C2=CC=CC=C2

> <INCHI>
InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

> <INCHIKEY>
KKHPNPMTPORSQE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
77-38-3

$$$$