dacarbazine   Click here for help

GtoPdb Ligand ID: 9075

Synonyms: DTIC-Dome®
Approved drug
dacarbazine is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Dacarbazine is a triazine DNA alkylating agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 95.44
Molecular weight 182.09
XLogP -1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(NN=C1N=CN=C1C(=O)N)C
Isomeric SMILES CN(N/N=C\1/N=CN=C1C(=O)N)C
InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
InChI Key OMJKFYKNWZZKTK-UXBLZVDNSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
(5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
3232 dacarbazine
Synonyms Click here for help
DTIC-Dome®
Database Links Click here for help
CAS Registry No. 4342-03-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL476
DrugBank Ligand DB00851
GtoPdb PubChem SID 315661160
PubChem CID 5353562
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