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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA and FDA (1999))
IUPAC Name Click here for help
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
DrugBank Ligand DB00853
DrugCentral Ligand 2589
GtoPdb PubChem SID 178103874
PubChem CID 5394
Search Google for chemical match using the InChIKey BPEGJWRSRHCHSN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPEGJWRSRHCHSN
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UniChem Compound Search for chemical match using the InChIKey BPEGJWRSRHCHSN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BPEGJWRSRHCHSN-UHFFFAOYSA-N
Wikipedia Temozolomide

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Temozolomide (links to external site)
Cat. No. 2706