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CHEBI:9434 - telmisartan

ChEBI IDCHEBI:9434
ChEBI Nametelmisartan
Stars
DefinitionA member of the class of benzimidazoles used widely in the treatment of hypertension.
Last Modified24 July 2018
DownloadsMolfile
FormulaC33H30N4O2
Net Charge0
Average Mass514.629
Monoisotopic Mass514.23688
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
InChIKeyRMMXLENWKUUMAY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
telmisartan (CHEBI:9434) has role angiotensin receptor antagonist (CHEBI:61016)
telmisartan (CHEBI:9434) has role antihypertensive agent (CHEBI:35674)
telmisartan (CHEBI:9434) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
telmisartan (CHEBI:9434) has role environmental contaminant (CHEBI:78298)
telmisartan (CHEBI:9434) has role xenobiotic (CHEBI:35703)
telmisartan (CHEBI:9434) is a benzimidazoles (CHEBI:22715)
telmisartan (CHEBI:9434) is a biphenyls (CHEBI:22888)
telmisartan (CHEBI:9434) is a carboxybiphenyl (CHEBI:141493)
IUPAC Name 
4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid
INN  Source
telmisartanChemIDplus
Synonyms  Source
TelmisartanKEGG COMPOUND
4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acidIUPHAR
4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acidIUPAC
BIBR 277DrugBank
4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acidChemIDplus
4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acidChemIDplus
Brand Name  Source
MicardisKEGG DRUG
Manual XrefsDatabases
C07710KEGG COMPOUND
D00627KEGG DRUG
DB00966DrugBank
EP502314Patent
TelmisartanWikipedia
HMDB0015101HMDB
LSM-3657LINCS
2583DrugCentral
Registry NumbersSources
Reaxys:6624054Reaxys
CAS:144701-48-4KEGG COMPOUND
CAS:144701-48-4ChemIDplus
Citations