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CHEBI:8481 - Propantheline

ChEBI IDCHEBI:8481
ChEBI NamePropantheline
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H30NO3
Net Charge+1
Average Mass368.497
Monoisotopic Mass368.22202
SMILESCC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
InChIInChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
InChIKeyVVWYOYDLCMFIEM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Propantheline (CHEBI:8481) is a xanthenes (CHEBI:38835)
Synonyms  Source
PropanthelineKEGG COMPOUND
propantheline bromideDrugCentral
probanthineDrugCentral
propantheliniumDrugCentral
Manual XrefsDatabases
C07506KEGG COMPOUND
LSM-5959LINCS
2293DrugCentral
HMDB0014920HMDB
Registry NumbersSources
CAS:298-50-0KEGG COMPOUND