temozolomide   Click here for help

GtoPdb Ligand ID: 7301

Synonyms: CCRG-81045 | M-39831 | Temodal® | Temodar®
Approved drug
temozolomide is an approved drug (EMA and FDA (1999))
Compound class: Synthetic organic
Comment: Temozolomide is a DNA alkylating agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 108.17
Molecular weight 194.06
XLogP -1.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)c1ncn2c1nnn(c2=O)C
Isomeric SMILES NC(=O)c1ncn2c1nnn(c2=O)C
InChI InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
InChI Key BPEGJWRSRHCHSN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA and FDA (1999))
IUPAC Name Click here for help
3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
International Nonproprietary Names Click here for help
INN number INN
6027 temozolomide
Synonyms Click here for help
CCRG-81045 | M-39831 | Temodal® | Temodar®
Database Links Click here for help
CAS Registry No. 85622-93-1
ChEMBL Ligand CHEMBL810
DrugBank Ligand DB00853
DrugCentral Ligand 2589
GtoPdb PubChem SID 178103874
PubChem CID 5394
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Wikipedia Temozolomide

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Tocris
Temozolomide
Cat. No. 2706