Marvin  12111212242D          

 17 17  0  0  0  0            999 V2000
   10.4267   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1429   -5.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7109   -5.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4267   -6.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8589   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1429   -4.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0016   -5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1429   -6.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8589   -6.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -5.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5748   -6.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8570   -5.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   -3.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8570   -4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8777   -5.3830    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  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  4  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8  9  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <ID>
CHEBI:71419

> <NAME>
phenazopyridine hydrochloride

> <DEFINITION>
A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.

> <STAR>
3

> <SYNONYM>
Phenazopyridinium chloride; phenazopyridine monohydrochloride; Phenazopyridine HCl; 3-Phenylazo-2,6-diaminopyridine hydrochloride; 3-(Phenylazo)-2,6-pyridinediamine hydrochloride; 2,6-Diamino-3-phenylazopyridine hydrochloride; 2,6-Diamino-3-(phenylazo)pyridine monohydrochloride

> <IUPAC_NAME>
3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride

> <FORMULA>
C11H12ClN5

> <MASS>
249.69900

> <MONOISOTOPIC_MASS>
249.07812

> <CHARGE>
0

> <SMILES>
Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1

> <INCHI>
InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H

> <INCHIKEY>
QQBPIHBUCMDKFG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
136-40-3

> <REAXYS_REGISTRY_NUMBER>
4924060

> <CHEMIDPLUS>
136-40-3

> <KEGG_COMPOUND_ACCESSION>
C19290

> <KEGG_DRUG_ACCESSION>
D05450

> <WIKIPEDIA_ACCESSION>
Phenazopyridine_hydrochloride

> <PUBMED_CITATION>
12806392; 16466130; 17020148; 1760061; 18051539; 18967703; 1902415; 19376664; 19937817; 19941709; 21376167; 21863079; 2922627; 4086443; 4178260; 633496; 6483945; 6868236; 7178218; 7362105

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