saprisartan   Click here for help

GtoPdb Ligand ID: 6899

Synonyms: GR 138950 | GR-138950 | GR138950
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 128.6
Molecular weight 610.05
XLogP 5.11
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1
Isomeric SMILES CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1
InChI InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
InChI Key DUEWVPTZCSAMNB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7306 saprisartan
Synonyms Click here for help
GR 138950 | GR-138950 | GR138950
Database Links Click here for help
CAS Registry No. 146623-69-0 (source: Scifinder)
ChEMBL Ligand CHEMBL305544
DrugBank Ligand DB01347
GtoPdb PubChem SID 178103481
PubChem CID 60921
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