Marvin  01310815472D          

 33 37  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    4.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    5.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9213    4.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    5.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990   -0.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840   -0.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7638    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    2.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338    5.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463    4.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338    4.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    1.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  2  0  0  0  0
  2  1  1  0  0  0  0
 16  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3 17  2  0  0  0  0
  4  2  2  0  0  0  0
 13  4  1  0  0  0  0
  4  5  1  0  0  0  0
 21  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  7 29  1  0  0  0  0
  7  8  2  0  0  0  0
 10  7  1  0  0  0  0
 25  8  1  0  0  0  0
  8  9  1  0  0  0  0
 26  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 20  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 24  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 27 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 31  1  0  0  0  0
 29 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <ID>
CHEBI:3347

> <NAME>
candesartan

> <DEFINITION>
A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.

> <STAR>
3

> <SYNONYM>
CV-11974; 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid; 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid; 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid

> <IUPAC_NAME>
2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid

> <BRAND_NAME>
Blopress

> <FORMULA>
C24H20N6O3

> <MASS>
440.45424

> <MONOISOTOPIC_MASS>
440.15969

> <CHARGE>
0

> <SMILES>
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

> <INCHI>
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)

> <INCHIKEY>
HTQMVQVXFRQIKW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6377719

> <CAS_REGISTRY_NUMBER>
139481-59-7

> <REAXYS_REGISTRY_NUMBER>
6377719

> <CHEMIDPLUS>
139481-59-7

> <DRUGBANK_ACCESSION>
DB00796

> <KEGG_COMPOUND_ACCESSION>
C07468

> <KEGG_DRUG_ACCESSION>
D00522

> <LINCS_ACCESSION>
LSM-5903

> <WIKIPEDIA_ACCESSION>
Candesartan

> <PUBMED_CITATION>
23713902; 24464858

$$$$