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CHEBI:6817 - Methantheline

ChEBI IDCHEBI:6817
ChEBI NameMethantheline
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H26NO3
Net Charge+1
Average Mass340.443
Monoisotopic Mass340.19072
SMILESCC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1
InChIKeyGZHFODJQISUKAY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methantheline (CHEBI:6817) is a xanthenes (CHEBI:38835)
Synonyms  Source
MethanthelineKEGG COMPOUND
methantheline bromideDrugCentral
methantheliniumDrugCentral
banthineDrugCentral
methanthelinDrugCentral
Manual XrefsDatabases
C07849KEGG COMPOUND
LSM-2202LINCS
1736DrugCentral
HMDB0015075HMDB
Registry NumbersSources
CAS:5818-17-7KEGG COMPOUND