Marvin  01310815462D          

 30 33  0  0  0  0            999 V2000
    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 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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991   -0.6674    0.0000 N   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
   -1.4991    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    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
    2.2136    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    5.1646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    1.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  1  1  0  0  0  0
  2 10  2  0  0  0  0
  3  2  1  0  0  0  0
 11  3  2  0  0  0  0
  4  3  1  0  0  0  0
 12  4  2  0  0  0  0
  5  4  1  0  0  0  0
 14  5  2  0  0  0  0
  6  5  1  0  0  0  0
 16  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 13 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  2  0  0  0  0
 17 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 27 20  1  0  0  0  0
 23 21  2  0  0  0  0
 25 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
> <ID>
CHEBI:6541

> <NAME>
losartan

> <DEFINITION>
A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position

> <STAR>
3

> <SYNONYM>
Losartan; 2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole; (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol

> <IUPAC_NAME>
(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol

> <INN>
losartan

> <FORMULA>
C22H23ClN6O; C22H22ClN6O.K

> <MASS>
422.91100

> <MONOISOTOPIC_MASS>
422.16219

> <CHARGE>
0

> <SMILES>
CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

> <INCHI>
InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)

> <INCHIKEY>
PSIFNNKUMBGKDQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4770867

> <CAS_REGISTRY_NUMBER>
114798-26-4

> <REAXYS_REGISTRY_NUMBER>
4770867

> <CHEMIDPLUS>
114798-26-4

> <DRUGBANK_ACCESSION>
DB00678

> <KEGG_COMPOUND_ACCESSION>
C07072

> <KEGG_DRUG_ACCESSION>
D08146

> <LINCS_ACCESSION>
LSM-3701

> <WIKIPEDIA_ACCESSION>
Losartan

> <PUBMED_CITATION>
11115412; 11589260; 12561964; 15703421; 18800450; 18800451; 18800458; 18940180; 31299855; 31613648; 31636311; 31893179; 32048541

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