dacarbazine   

GtoPdb Ligand ID: 9075

Synonyms: DTIC-Dome®
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
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
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
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
(5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
International Nonproprietary Names
INN number INN
3232 dacarbazine
Synonyms
DTIC-Dome®
Database Links
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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