CHEBI:31283 - bevonium methyl sulfate

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ChEBI Name bevonium methyl sulfate
ChEBI ID CHEBI:31283
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H28NO3.CH3O4S
C23H31NO7S
Net Charge 0
Average Mass 465.562
Monoisotopic Mass 465.18212
InChI InChI=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
InChIKey AXKJGGRSAVLXTE-UHFFFAOYSA-M
SMILES C1=CC=CC(C(C2=CC=CC=C2)(C(OCC3[N+](CCCC3)(C)C)=O)O)=C1.S(=O)(=O)(OC)[O-]
ChEBI Ontology
Outgoing 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 methylsulfate KEGG COMPOUND
Manual Xref Database
D01532 KEGG DRUG
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Registry Number Type Source
5205-82-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017