819
  Mrv0541 02231215012D          

 13 13  0  0  0  0            999 V2000
    5.9518   -0.2872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998   -0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6969   -1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    0.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062    1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -0.2872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    0.7524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7365   -0.5421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    0.7524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672   -0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324   -0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00819

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)NC1=NN=C(S1)S(N)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)

> <INCHI_KEY>
BZKPWHYZMXOIDC-UHFFFAOYSA-N

> <FORMULA>
C4H6N4O3S2

> <MOLECULAR_WEIGHT>
222.245

> <EXACT_MASS>
221.988131458

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.07369824155145

> <JCHEM_AVERAGE_POLARIZABILITY>
19.16242161485208

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

> <ALOGPS_LOGP>
-0.39

> <JCHEM_LOGP>
-1.0394669539999999

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.2793416876376

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.552421512528148

> <JCHEM_PKA_STRONGEST_BASIC>
-3.321660909217553

> <JCHEM_POLAR_SURFACE_AREA>
115.03999999999999

> <JCHEM_REFRACTIVITY>
47.3567

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00819

> <SECONDARY_ACCESSION_NUMBERS>
APRD00119; EXPT00604

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Acetazolamide

> <SYNONYMS>
2-acetylamino-1,3,4-thiadiazole-5-sulfonamide; 5-acetamido-1,3,4-thiadiazole-2-sulfonamide; 5-acetylamino-1,3,4-thiadiazole-2-sulfonamide; Acetazolamid; Acetazolamida; Acétazolamide; Acetazolamide; Acetazolamidum; N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide; N-[5-(aminosulfonyl)-1,3,5-thiadiazol-2-yl]acetamide

> <PRODUCTS>
AcetaZOLAMIDE; Acetazolam; Acetazolamide; Acetazolamide Extended-release; Acetazolamide for Injection USP; Acetazolamide for Injection, USP; Diamox IV 500mg; Diamox Pws 500mg/vial; Diamox Sequels; Diamox Src 500mg; Diamox Tab 250mg; Diamox Tablets 250mg; Novo-zolamide Tab 250mg; acetaZOLAMIDE

> <INTERNATIONAL_BRANDS>
Acemit; Acemox; Acetak; Acetamide; Acetazolamax; Azm; Azol; Azomid; Carbinib; Défiltran; Diabo; Diacarb; Diamox; Diamox Depot; Diazomid; Diluran; Diuramid; Edemox; Glaumox; Glaupax; Glupax; Huma-Zolamide; Iopar-SR; Medene; Oculten; Ödemin; Uramox; Zolmide

> <SALTS>
Acetazolamide sodium

$$$$