Marvin  07300810432D          

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 19  7  1  0  0  0  0
  7  6  2  0  0  0  0
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 11  9  1  0  0  0  0
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 14 12  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:6375

> <NAME>
lansoprazole

> <STAR>
3

> <SYNONYM>
AG 1749

> <IUPAC_NAME>
2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole

> <INN>
lansoprazolum; lansoprazol

> <BRAND_NAME>
Prevacid; Opiren; Ogastro; Monolitum; Limpidex; Lanzul; Lanzopral; Lanzol; Bamalite

> <FORMULA>
C16H14F3N3O2S

> <MASS>
369.36259

> <MONOISOTOPIC_MASS>
369.07588

> <CHARGE>
0

> <SMILES>
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1

> <INCHI>
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

> <INCHIKEY>
MJIHNNLFOKEZEW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4333393

> <CAS_REGISTRY_NUMBER>
103577-45-3

> <CHEMIDPLUS>
103577-45-3

> <DRUGBANK_ACCESSION>
DB00448

> <KEGG_DRUG_ACCESSION>
D00355

> <LINCS_ACCESSION>
LSM-5064

> <WIKIPEDIA_ACCESSION>
Lansoprazole

$$$$