Marvin  07021013582D          

 17 18  0  0  0  0            999 V2000
    8.1393   -9.7248    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490  -10.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246  -10.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7259   -9.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515   -9.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5634   -9.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8488  -10.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -9.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4276  -10.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9964  -10.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2779  -10.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9926  -11.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818  -11.3650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7109  -11.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5634  -11.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0011  -10.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2780  -10.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 16 10  2  0  0  0  0
 11 17  2  0  0  0  0
M  END
> <ID>
CHEBI:4325

> <NAME>
dapsone

> <DEFINITION>
A  sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide  range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:226356

> <SYNONYM>
p-aminophenyl sulfone; p,p-sulphonylbisbenzenamine; p,p-sulphonylbisbenzamine; p,p'-diaminodiphenyl sulfone; Diaphenylsulfone; DIAPHENYLSULFONE; DDS; Dapsone; DAPSONE; DADPS; Bis(p-aminophenyl) sulfone; bis(4-aminophenyl)sulfone; 4-aminophenyl sulfone; 4-(4-aminophenylsulfonyl)benzenamine; 4-(4-aminophenylsulfonyl)aniline; 4-(4-amino-benzenesulfonyl)-phenylamine; 4,4'-Sulfonylbisbenzenamine; 4,4'-sulfonylbisaniline; 4,4'-diaminodiphenyl sulfone; 4,4'-dapsone; 1,1'-sulfonylbis(4-aminobenzene)

> <IUPAC_NAME>
4,4'-sulfonyldianiline

> <INN>
dapsonum; dapsone; dapsona

> <FORMULA>
C12H12N2O2S

> <MASS>
248.30100

> <MONOISOTOPIC_MASS>
248.06195

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1

> <INCHI>
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2

> <INCHIKEY>
MQJKPEGWNLWLTK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
788055

> <CAS_REGISTRY_NUMBER>
80-08-0

> <REAXYS_REGISTRY_NUMBER>
788055

> <CHEMIDPLUS>
80-08-0

> <DRUGBANK_ACCESSION>
DB00250

> <KEGG_COMPOUND_ACCESSION>
C07666

> <KEGG_DRUG_ACCESSION>
D00592

> <LINCS_ACCESSION>
LSM-5714

> <NIST_CHEMISTRY_WEBBOOK>
80-08-0

> <WIKIPEDIA_ACCESSION>
Dapsone

> <PUBMED_CITATION>
16361748; 18035772; 24232126; 24512442; 28434260; 28699887; 28732451; 29045131; 29192974; 29192999; 29233746; 29280553

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