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CHEBI:135851 - butobendine

ChEBI IDCHEBI:135851
ChEBI Namebutobendine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC32H48N2O10
Net Charge0
Average Mass620.740
Monoisotopic Mass620.33090
SMILESCC[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CCN(C)[C@@H](CC)COC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C32H48N2O10/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8/h15-18,23-24H,11-14,19-20H2,1-10H3/t23-,24-/m0/s1
InChIKeyZKSIPEYIAHUPNM-ZEQRLZLVSA-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)
butobendine (CHEBI:135851) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym  Source
butobendinDrugCentral
Manual XrefsDatabases
3695DrugCentral
Registry NumbersSources
CAS:55769-65-8DrugCentral