Marvin  04101319502D          

 11 11  0  0  0  0            999 V2000
    5.0957   -4.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -5.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8103   -5.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -3.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259   -4.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2392   -5.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8103   -5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5236   -6.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -5.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680   -4.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  8  2  0  0  0  0
  1 10  2  0  0  0  0
 10  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:6775

> <NAME>
mesalamine

> <DEFINITION>
A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.

> <STAR>
3

> <SYNONYM>
p-Aminosalicylsaeure; Mesalazine; m-Aminosalicylic acid; 5-ASA; 5-Aminosalicylic acid; 3-carboxy-4-hydroxyaniline

> <IUPAC_NAME>
5-amino-2-hydroxybenzoic acid

> <INN>
mesalazinum; mesalazine; mesalazine; mesalazina

> <BRAND_NAME>
Salofalk; Rowasa; Pentasa; Mesasal; Lixacol; Iialda; Fisalamine; Claversal; Canasa; Asacolitin; Asacol

> <FORMULA>
C7H7NO3

> <MASS>
153.13540

> <MONOISOTOPIC_MASS>
153.04259

> <CHARGE>
0

> <SMILES>
Nc1ccc(O)c(c1)C(O)=O

> <INCHI>
InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)

> <INCHIKEY>
KBOPZPXVLCULAV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2090421

> <CAS_REGISTRY_NUMBER>
89-57-6

> <REAXYS_REGISTRY_NUMBER>
2090421

> <CHEMIDPLUS>
89-57-6

> <DRUGBANK_ACCESSION>
DB00244

> <KEGG_DRUG_ACCESSION>
D00377

> <LINCS_ACCESSION>
LSM-5427

> <METACYC_ACCESSION>
CPD-12711

> <WIKIPEDIA_ACCESSION>
Mesalamine

> <PUBMED_CITATION>
10648473; 22304735; 22648999; 23137838; 23146664; 23302220; 28166217

$$$$