Mrv0541 01161510252D          

 18 17  0  0  0  0            999 V2000
    0.0215    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8794    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5951    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3096    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5951    1.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   -0.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <ID>
CHEBI:84338

> <NAME>
synthalin A

> <DEFINITION>
A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions.

> <STAR>
3

> <SYNONYM>
N,N'''-1,10-Decanediylbisguanidine; decamethylenediguanidine; decamethylenebis(guanidine); 1,10-bis(guanidino)decane; 1,1'-decamethylenediguanidine

> <IUPAC_NAME>
1,1'-decane-1,10-diyldiguanidine

> <FORMULA>
C12H28N6

> <MASS>
256.39090

> <MONOISOTOPIC_MASS>
256.23754

> <CHARGE>
0

> <SMILES>
NC(=N)NCCCCCCCCCCNC(N)=N

> <INCHI>
InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)

> <INCHIKEY>
OZZMUVKANAPKGI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-23-9

> <REAXYS_REGISTRY_NUMBER>
1794058

> <CHEMIDPLUS>
111-23-9

> <WIKIPEDIA_ACCESSION>
Synthalin

> <PUBMED_CITATION>
12981621; 13151124; 13202402; 13203057; 13246651; 13277489; 13300728; 13375597; 13561982; 13607450; 4148980; 4148981; 4327533; 6350026

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