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CHEBI:135843 - hexobendine

ChEBI IDCHEBI:135843
ChEBI Namehexobendine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC30H44N2O10
Net Charge0
Average Mass592.686
Monoisotopic Mass592.29960
SMILESCOc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3
InChIKeyKRQAMFQCSAJCRH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
hexobendine (CHEBI:135843) is a trihydroxybenzoic acid (CHEBI:27115)
Synonyms  Source
ditriminDrugCentral
hexabendineDrugCentral
hexabendinDrugCentral
ditrimineDrugCentral
ditrymineDrugCentral
hexobendinDrugCentral
Manual XrefsDatabases
1370DrugCentral
Registry NumbersSources
CAS:54-03-5DrugCentral