1438
  Mrv0541 02231215292D          

 16 17  0  0  0  0            999 V2000
    5.2223   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  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
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01438

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
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)/b16-15+

> <INCHI_KEY>
QPFYXYFORQJZEC-FOCLMDBBSA-N

> <FORMULA>
C11H11N5

> <MOLECULAR_WEIGHT>
213.2385

> <EXACT_MASS>
213.101445377

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.8780269201042618

> <JCHEM_AVERAGE_POLARIZABILITY>
22.653846479094057

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(1E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
2.692530214333334

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.84872402921682

> <JCHEM_PKA_STRONGEST_BASIC>
6.857243998974721

> <JCHEM_POLAR_SURFACE_AREA>
89.64999999999999

> <JCHEM_REFRACTIVITY>
68.24790000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.02e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01438

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Phenazopyridine

> <SYNONYMS>
2,6-Diamino-3-(phenylazo)pyridine; 2,6-Diamino-3-phenylazopyridine; 3-(Phenylazo)-2,6-pyridinediamine; Fenazopiridina; Phenazopyridine; Phénazopyridine; Phenazopyridinum

> <PRODUCTS>
AZO Urinary Pain Relief; AZO Urinary Pain Relief Maximum Strength; AZO Urinary Tract Health; All-In-One UTI Emergency Kit; Azo; Azo Gesic; CVS Health Maximum Strength Urinary Pain Relief; CVS Health Urinary Pain Relief; CVS Maximum Strength Urinary Pain Relief; Care One Maximum Strength Urinary Pain Relief; Cheeky Bonsai UTI Pain Relief; Discount Drug Mart Maximum Strength Urinary Pain Relief; Discount Drugmart Maximum Strength Urinary Pain Relief; Dollar General Maximum Strength Urinary Pain Relief; Equate Maximum Strength Urinary Pain Relief; Family Dollar Maximum Strength Urinary Pain Relief; Family Wellness Maximum Strength Urinary Pain Relief; Foster and Thrive Maximum Strength Urinary Pain Relief; Foster and Thrive Neighbor Pharmacy Urinary Pain Relief; Good Neighbor Maximum Strength Urinary Pain Relief; Good Neighbor Pharmacy Maximum Strength Urinary Pain Relief; Good Neighbor Pharmacy Urinary Pain Relief; Harris Teeter Maximum Strength Urinary Pain Relief; HealthMart Maximum Strength Urinary Pain Relief; HealthMart Urinary Pain Relief; Kroger Maximum Strength Urinary Pain Relief; Kroger Urinary Pain Relief; LEADER Azo Tabs Urinary Tract Analgesic; Leader Maximum Strenght Urinary Pain Relief; Leader Maximum Strength Urinary Pain Relief; Leader Urinary Pain Relief; Maximum Strength Urinary Pain Relief; Meijer Maximum Strength Urinary Pain Relief; Phenazo; Phenazopyridine; Phenazopyridine HCL; Phenazopyridine HCl; Phenazopyridine HCl 100mg; Phenazopyridine HCl 200mg; Phenazopyridine Hydrochloride; Phenazopyridine Hydrochloride 100 mg; Phenazopyridine Hydrochloride 200 mg; Phenazopyridine Hydrochloride 97.5mg; Phenazopyridine Hydrochloride, Hyoscyamine Hydrobromide, and Butabarbital; Phenazopyridine Plus; Phenazopyridine hydrochloride; Phenazopyridine hydrochloride 95mg; Preferred Maximum Strength Urinary Pain Relief; Preferred Plus Maximum Strength Urinary Pain Relief; Preferred Plus Urinary Pain Relief; Preferred Urinary Pain Relief; Premier Value Maximum Strength Urinary Pain Relief; Pyrelle H.B.; Pyridium; Pyronium 0.1gm; Pyronium Tab 200mg; Quality Choice Maximum Strength Urinary Pain Relief; Quality Choice Urinary Pain Relief; Quality Choice Urinary Pain Relief Maximum Strength; RIGHT REMEDIES Maximum Strength Urinary Pain Relief; Rite Aid Maximum Strength Urinary Pain Relief; Rite Aid Urinary Pain Relief; Rugby Phenazopyridine HCl Urinary Tract Analgesic; Select Brand Maximum Strength Urinary Pain Relief; Signature Care Maximum Strength Urinary Pain Relief; Skopko Urinary Pain Relief; Stix Maximum Strength Urinary Pain Relief; Sunmark Maximum Strength Urinary Pain Relief; Sunmark Urinary Pain Relief; Sunmark Urinary Pain Relief Maximum Strength; TopCare Maximum Strength Urinary Pain Relief; TopCare Urinary Pain Relief; Topcare Maximum Strength Urinary Pain Relief; URO-PAIN Maximum Strength; UTI-Pain; Uqora Maximum Strength Urinary Pain Relief; Uricalm Maximum Strength; Urinary Pain Relief; Uristat UTI Relief Pak; Uristat Ultra; UristatUTI Relief Pak UTI Relief Pak; Uro-pain; Urobiotic; Vexia Maximum Strength Urinary Pain Relief; Vito Reins Tab 100mg; Walgreens Maximum Strength Urinary Pain Relief; Walgreens Urinary Pain Relief; Walgreens Urinary Pain Relief Maximum Strength; Wallgreens Maximum Strength Urinary Pain Relief; Walmart Maximum Strength Urinary Pain Relief; WinCo Maximum Strength Urinary Pain Relief

> <INTERNATIONAL_BRANDS>
AZO-Standard; Baridium; Phenazodine; Prodium; Pyrazodine; Pyridiate; Sedural; Uristat; Urodine; Urogesic; Viridium

> <SALTS>
Phenazopyridine hydrochloride

$$$$