API reference
Temozolomide
- CAS number
- 85622-93-1
- Molecular formula
- C6H6N6O2
- Molecular weight
- 194.15 g/mol

About this molecule
Temozolomide is 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. It has a role as an alkylating agent, an antineoplastic agent and a prodrug. It is a monocarboxylic acid amide, an imidazotetrazine and a triazene derivative.
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
- InChIKey
- BPEGJWRSRHCHSN-UHFFFAOYSA-N
- SMILES
- CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
- PubChem CID
- 5394
Also known as
temozolomide · Methazolastone · Temodar · Temodal · Temozolamide · Temozolomidum · temozolomida · temomedac
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