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CHEBI:17340 - cetraxate

ChEBI IDCHEBI:17340
ChEBI Namecetraxate
Stars
DefinitionA cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position.
Secondary ChEBI IDsCHEBI:3563, CHEBI:13957, CHEBI:23082
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESNC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-
InChIKeyFHRSHSOEWXUORL-HDJSIYSDSA-N
Wikipedia
Roles Classification
Applications:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
drug  Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
ChEBI Ontology
Outgoing Relation(s)
cetraxate (CHEBI:17340) has role anti-ulcer drug (CHEBI:49201)
cetraxate (CHEBI:17340) is a cetraxates (CHEBI:23084)
cetraxate (CHEBI:17340) is tautomer of cetraxate zwitterion (CHEBI:58112)
Incoming Relation(s)
cetraxate zwitterion (CHEBI:58112) is tautomer of cetraxate (CHEBI:17340)
IUPAC Name 
3-[4-({[(1r,4r)-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
Synonyms  Source
CetraxateKEGG COMPOUND
3-[4-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acidIUPAC
trans-4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acidChemIDplus
p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylateChemIDplus
Manual XrefsDatabases
C01564KEGG COMPOUND
D07663KEGG DRUG
CetraxateWikipedia
582DrugCentral
Registry NumbersSources
Reaxys:2820321Reaxys
CAS:34675-84-8ChemIDplus
Citations