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CHEBI:31283 - bevonium methyl sulfate

ChEBI IDCHEBI:31283
ChEBI Namebevonium methyl sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H28NO3.CH3O4S
Net Charge0
Average Mass465.568
Monoisotopic Mass465.18212
SMILESCOS(=O)(=O)[O-].C[N+]1(C)CCCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyAXKJGGRSAVLXTE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
bevonium methyl sulfate (CHEBI:31283) is a azaheterocycle sulfate salt (CHEBI:38017)
bevonium methyl sulfate (CHEBI:31283) is a glycolate ester (CHEBI:37938)
bevonium methyl sulfate (CHEBI:31283) is a piperidines (CHEBI:26151)
Synonym  Source
Bevonium methylsulfateKEGG COMPOUND
Manual XrefsDatabases
D01532KEGG DRUG
Registry NumbersSources
CAS:5205-82-3KEGG COMPOUND