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CHEBI:67107 - dimethylmyleran

ChEBI IDCHEBI:67107
ChEBI Namedimethylmyleran
Stars
DefinitionA methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups.
Last Modified10 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H18O6S2
Net Charge0
Average Mass274.360
Monoisotopic Mass274.05448
SMILESCC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3
InChIKeyJDZNTUQRMDAIRO-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.
ChEBI Ontology
Outgoing Relation(s)
dimethylmyleran (CHEBI:67107) has role alkylating agent (CHEBI:22333)
dimethylmyleran (CHEBI:67107) has role mutagen (CHEBI:25435)
dimethylmyleran (CHEBI:67107) is a methanesulfonate ester (CHEBI:25223)
IUPAC Name 
hexane-2,5-diyl dimethanesulfonate
Synonyms  Source
2,5-hexanediol dimesylateChEBI
1,4-bis(methylsulfonyloxy)-1,4-dimethylbutaneChemIDplus
DMMChemIDplus
1,4-dimethanesulfonoxy-1,4-dimethylbutaneChemIDplus
2,5-hexanediol dimethylsulfonateChemIDplus
dimethylbusulfanChemIDplus
Registry NumbersSources
Reaxys:1796040Reaxys
CAS:55-93-6ChemIDplus
Citations