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
Product CodeSL1112040
Molecular FormulaC6H6N6O2
Molecular Weight194.15
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

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