dibrompropamidine
  CDK     0223171739
null
 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.4310   -1.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8599   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8599   -0.7370    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8599   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -1.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2888   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2888   -4.0370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0033   -2.7985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -0.7370    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -4.0370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -2.7985    0.0000 N   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 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  2  0  0  0  0 
 20 22  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:135760

> <NAME>
dibrompropamidine

> <STAR>
2

> <SYNONYM>
dibropropamidine isethionate; dibrompropamidine isetionate; dibrompropamidine isethionate; dibrompropamidine hydrochloride; dibrompropamidine HCl; dibrompropamidine diisetionate; dibromopropamidine isetionate; dibromopropamidine isethionate; dibromopropamidine

> <FORMULA>
C17H18Br2N4O2

> <MASS>
470.158

> <MONOISOTOPIC_MASS>
467.97965

> <CHARGE>
0

> <SMILES>
O(CCCOC1=C(Br)C=C(C=C1)C(=N)N)C2=C(Br)C=C(C=C2)C(=N)N

> <INCHI>
InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)

> <INCHIKEY>
GMJFVGRUYJHMCO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
496-00-4

$$$$