Molecular Identity
Temozolomide
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID: 5394
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.
2D Structure
Properties
C6H6N6O2
Molecular Formula
194.15
Molecular Weight
g/mol
194.0552
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
315
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)NIsomeric SMILES
SMILES: CN1C(=O)N2C=NC(=C2N=N1)C(=O)NSynonyms(20)
temozolomide85622-93-1MethazolastoneTemodarTemodal3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamideTemozolamideCCRG-81045Sch 52365TemozolomidumNSC 362856Sch-52365NSC-362856temozolomidaM&B 39831
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Temozolomide
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