Marvin  01211313072D          

 16 17  0  0  0  0            999 V2000
   17.5961  -29.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961  -30.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8834  -29.0282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3117  -29.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3110  -30.6843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8982  -30.7108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664  -29.4343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0252  -29.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0248  -30.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4524  -29.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7388  -30.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7376  -29.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -28.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0240  -29.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7402  -27.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0254  -28.1980    0.0000 C   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:71416

> <NAME>
phenazopyridine

> <DEFINITION>
A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. 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

> <SECONDARY_ID>
CHEBI:8057

> <SYNONYM>
3-(Phenylazo)-2,6-pyridinediamine; 2,6-Diamino-3-phenylazopyridine; 2,6-Diamino-3-(phenylazo)pyridine

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

> <INN>
phenazopyridinum; phenazopyridine; phenazopyridine; fenazopiridina

> <FORMULA>
C11H11N5

> <MASS>
213.23850

> <MONOISOTOPIC_MASS>
213.10145

> <CHARGE>
0

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

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

> <INCHIKEY>
QPFYXYFORQJZEC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
184497

> <CAS_REGISTRY_NUMBER>
94-78-0

> <REAXYS_REGISTRY_NUMBER>
184497

> <CHEMIDPLUS>
94-78-0

> <DRUGBANK_ACCESSION>
DB01438

> <KEGG_COMPOUND_ACCESSION>
C07429

> <KEGG_DRUG_ACCESSION>
D08346

> <LINCS_ACCESSION>
LSM-3705

> <NIST_CHEMISTRY_WEBBOOK>
94-78-0

> <WIKIPEDIA_ACCESSION>
Phenazopyridine

> <PUBMED_CITATION>
19300288; 19744778; 20196783; 20467292; 20636989; 20976818; 21147318; 21376167; 21681956; 21789523; 21856805; 22110938; 22987905; 23030327; 28166217

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