loading...| Preferred Name |
temozolomide |
|
| Synonyms |
3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide M&B 39831 temozolomidum Sch 52365 MB 39831 CCRG 81045 methazolastone 3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide NSC 362856 Temodar M & B 39831 8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one CCRIS 8996 temozolomida CCRG-81045 Temodal TMZ temozolomide BRN 5547136 |
|
| Definitions |
An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72564 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:5547136 PMID:23362460 HMDB:HMDB0014991 PMID:22818211 PMID:23377829 Drug_Central:2589 Wikipedia:Temozolomide LINCS:LSM-4590 CAS:85622-93-1 PMID:23335050 PMID:23385995 PMID:22680781 KEGG:D06067 PMID:23246370 Patent:DE3231255 DrugBank:DB00853 PMID:23293540 PMID:23254891 PMID:23389760 |
|
| definition |
An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma. |
|
| formula |
C6H6N6O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide M&B 39831 temozolomidum Sch 52365 MB 39831 CCRG 81045 methazolastone 3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide NSC 362856 Temodar M & B 39831 8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one CCRIS 8996 temozolomida CCRG-81045 Temodal TMZ temozolomide BRN 5547136 |
|
| id |
CHEBI:72564 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13) |
|
| inchikey |
BPEGJWRSRHCHSN-UHFFFAOYSA-N |
|
| label |
temozolomide |
|
| mass |
194.15080 |
|
| monoisotopicmass |
194.05522 |
|
| notation |
CHEBI:72564 |
|
| prefLabel |
temozolomide |
|
| smiles |
Cn1nnc2c(ncn2c1=O)C(N)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_72565 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_72565 |