1119
  Mrv0541 02231215152D          

 14 15  0  0  0  0            999 V2000
    5.7524   -0.7138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -0.6947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601   -1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702   -0.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422   -0.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502    0.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680   -0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01119

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

> <INCHI_KEY>
GDLBFKVLRPITMI-UHFFFAOYSA-N

> <FORMULA>
C8H7ClN2O2S

> <MOLECULAR_WEIGHT>
230.671

> <EXACT_MASS>
229.991675875

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-3.259712556318636e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
20.976404199625513

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine-1,1-dione

> <ALOGPS_LOGP>
1.09

> <JCHEM_LOGP>
1.0004864536666664

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.483197502258628

> <JCHEM_PKA_STRONGEST_BASIC>
-2.56370247538144

> <JCHEM_POLAR_SURFACE_AREA>
58.53

> <JCHEM_REFRACTIVITY>
54.84080000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01119

> <SECONDARY_ACCESSION_NUMBERS>
APRD00914

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Diazoxide

> <SYNONYMS>
7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; Diazossido; Diazoxide; Diazoxido; Diazoxidum

> <PRODUCTS>
Diazoxide; Diazoxide Oral Solution; Hyperstat; Hyperstat Inj 15mg/ml; Proglycem; Proglycem Susp 50mg/ml; Truemed Group LLC

> <INTERNATIONAL_BRANDS>
Eudemine

> <SALTS>
Diazoxide choline

$$$$