ACD/Labs04212015232D

 15 14  0  0  0  0  0  0  0  0  9 V2000
    9.4370  -26.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5887  -25.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7405  -26.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8922  -25.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0438  -26.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1956  -25.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3473  -26.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4991  -25.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6509  -26.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8026  -25.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5887  -24.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8922  -24.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9544  -26.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1061  -25.7951    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    8.2852  -25.7951    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  5  6  1  0  0  0  0
  4 12  2  0  0  0  0
  1  2  1  0  0  0  0
 10 13  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
  1 15  1  0  0  0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT 
M  SAL   1 13   1   2   3   4   5   6   7   8   9  10  11  12  13
M  SBL   1  2  12  14
M  SMT   1 n
M  SDI   1  4   21.5302  -25.4626   21.5302  -26.7926
M  SDI   1  4    8.8611  -26.7927    8.8611  -25.4627
M  END
> <ID>
CHEBI:149520

> <NAME>
polyhexamethylene biguanide

> <DEFINITION>
A homopolymer macromolecule composed of repeating N-hexyltriimidodicarbonic diamide units. It is used as a disinfectant, antiseptic, and antifungal agent. Also commonly used as a swimming pool and spa water sanitizer.

> <STAR>
3

> <SYNONYM>
polyhexamethylene guanide; poly(iminoimidocarbonyl-iminoimidocarbonyl-iminohexamethylene); poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl); poly(hexamethylenebiguanide); PHMB; NB-325; NB 325

> <IUPAC_NAME>
poly(carbamimidoylcarbamimidamidohexane-1,6-diyl)

> <INN>
polihexanidum; polihexanide; polihexanide; polihexanida

> <BRAND_NAME>
Baquacil

> <FORMULA>
(C8H17N5)n

> <CHARGE>
0

> <CAS_REGISTRY_NUMBER>
28757-47-3

> <CHEMIDPLUS>
28757-47-3

> <DRUGBANK_ACCESSION>
DB12277

> <WIKIPEDIA_ACCESSION>
Polyhexanide

> <PUBMED_CITATION>
24421812; 27608742; 29164688; 29305328; 29885293; 29939885; 30188388; 30879081; 31130579; 31179775; 31306828; 31624671; 31694998; 31724982; 31956437; 32183411; 32195752; 32304258; 6789045

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