CHEBI:72568 - MTIC

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ChEBI Name MTIC
ChEBI ID CHEBI:72568
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H8N6O
Net Charge 0
Average Mass 168.15660
Monoisotopic Mass 168.07596
InChI InChI=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)
InChIKey MVBPAIHFZZKRGD-UHFFFAOYSA-N
SMILES CNN=Nc1[nH]cnc1C(N)=O
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5-(3-methyl-1-triazeno)imidazole-4-carboxamide ChemIDplus
5-(3-monomethyl-1-triazeno)imidazole-4-carboxamide ChemIDplus
5-monomethyltriazenoimidazole-4-carboxamide ChemIDplus
NSC 407347 ChemIDplus
NSC-407347 ChemIDplus
Manual Xref Database
C16250 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
11627787 Reaxys Registry Number Reaxys
3413-72-7 CAS Registry Number ChemIDplus
5004903 Reaxys Registry Number Reaxys
6395897 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10698531 PubMed citation Europe PMC
1168474 PubMed citation Europe PMC
15818507 PubMed citation Europe PMC
2831926 PubMed citation Europe PMC
9448080 PubMed citation Europe PMC
985584 PubMed citation Europe PMC
Last Modified
04 August 2014