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CHEBI:24624 - hycanthone mesylate

Default Structure
ChEBI IDCHEBI:24624
ChEBI Namehycanthone mesylate
Stars
DefinitionA methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.
Last Modified15 August 2012
DownloadsMolfile
FormulaC20H24N2O2S.CH4O3S
Net Charge0
Average Mass452.598
Monoisotopic Mass452.14396
SMILESCCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12.CS(=O)(=O)O
InChIInChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)
InChIKeyLOEQGPPJCCUXEJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
alkylating agent  Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
Application:
schistosomicide drug  Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma.
ChEBI Ontology
Outgoing Relation(s)
hycanthone mesylate (CHEBI:24624) has part hycanthone(1+) (CHEBI:67141)
hycanthone mesylate (CHEBI:24624) has role alkylating agent (CHEBI:22333)
hycanthone mesylate (CHEBI:24624) has role mutagen (CHEBI:25435)
hycanthone mesylate (CHEBI:24624) has role schistosomicide drug (CHEBI:38941)
hycanthone mesylate (CHEBI:24624) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-10H-dibenzo[b,e]thiopyran-10-one methanesulfonate
Synonyms  Source
N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonateChEBI
N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonateIUPAC
hycanthone methanesulfonateChemIDplus
hycanthone methanesulphonateChemIDplus
hycanthone monomesylateChEBI
hycanthone monomethanesulfonateChemIDplus
Brand Name  Source
EtrenolChEBI
Manual XrefsDatabases
C19432KEGG COMPOUND
Registry NumbersSources
Reaxys:4096157Reaxys
CAS:23255-93-8KEGG COMPOUND
CAS:23255-93-8ChemIDplus
Citations