Products 85622-93-1

CAS 85622-93-1 appears in our catalog under these names: Temozolomide, Temozolomide - Bio-X â„¢, Temozolomide, >98.0%(HPLC), Temozolomide, 98.00%, 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 98%, 98%. Offered by: Chemat Brand, GLPBio, Biosynth, TCI, Thermo Scientific (Acros). Available pack sizes: on request, 10mg, 100mg, 1g, 200mg, 2g, 10mM (in 1ml dmso), 50mg.

Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC6H6N6O2
Molecular weight194.15 g/mol
IUPAC name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
InChIKeyBPEGJWRSRHCHSN-UHFFFAOYSA-N
SMILESCN1C(=O)N2C=NC(=C2N=N1)C(=O)N

Computed by PubChem (NCBI)