3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

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3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide structure
Structural Feature
Imidazotetrazine scaffold
Reactive Feature
Carboxamide
Synthesis Role
Alkylating active molecule
Application Context
Active pharmaceutical molecule Antitumor drug related
CAS Number85622-93-1
Molecular FormulaC6H6N6O2
Molecular Weight194.15 g/mol
AppearanceWhite to off-white solid
Melting Point212 °C (dec.)
SMILESCn1nnc2c(C(N)=O)ncn2c1=O
InChIKeyBPEGJWRSRHCHSN-UHFFFAOYSA-N
DescriptionTemozolomide, an imidazotetrazine antineoplastic agent. Spontaneously degrades at physiological pH to generate a methyldiazonium ion that methylates DNA O6-guanine; used for glioblastoma.
ApplicationsAPI; antineoplastic; alkylating agent
Hazard ClassCarc. 1B; Muta. 1B; Repr. 1B; STOT RE 1; Eye Irrit. 2; STOT SE 3; Skin Irrit. 2
Hazard StatementsH340; H350; H360FD; H372; H315; H319; H335
Precautionary StatementsP201; P202; P260; P264; P270; P280; P281; P308+P313; P305+P351+P338; P314; P332+P313; P337+P313; P362; P405; P501