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CHEBI:72568 - MTIC

ChEBI IDCHEBI:72568
ChEBI NameMTIC
Stars
DefinitionA monocarboxylic acid amide that is dacarbazine in which one of the methyl groups is replaced by a hydrogen. It is the active metabolite of dacarbazine, and is also produced by spontaneous hydrolysis of temozolomide in the body.
Last Modified3 August 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC5H8N6O
Net Charge0
Average Mass168.160
Monoisotopic Mass168.07596
SMILESCN/N=N\c1ncnc1C(N)=O
InChIInChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)
InChIKeyMVBPAIHFZZKRGD-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
MTIC (CHEBI:72568) has role alkylating agent (CHEBI:22333)
MTIC (CHEBI:72568) has role antineoplastic agent (CHEBI:35610)
MTIC (CHEBI:72568) is a imidazoles (CHEBI:24780)
MTIC (CHEBI:72568) is a monocarboxylic acid amide (CHEBI:29347)
MTIC (CHEBI:72568) is a triazene derivative (CHEBI:72573)
IUPAC Name 
5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide
Synonyms  Source
5-(3-monomethyl-1-triazeno)imidazole-4-carboxamideChemIDplus
5-(3-methyl-1-triazeno)imidazole-4-carboxamideChemIDplus
5-monomethyltriazenoimidazole-4-carboxamideChemIDplus
NSC 407347ChemIDplus
NSC-407347ChemIDplus
Manual XrefsDatabases
C16250KEGG COMPOUND
Registry NumbersSources
Reaxys:6395897Reaxys
Reaxys:11627787Reaxys
Reaxys:5004903Reaxys
CAS:3413-72-7ChemIDplus
CAS:3413-72-7KEGG COMPOUND
Citations