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 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 99.73
Molecular weight 182.09
XLogP -1.08
No. Lipinski's rules broken 0
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Canonical SMILES CN(N=Nc1[nH]cnc1C(=O)N)C
Isomeric SMILES CN(N=Nc1[nH]cnc1C(=O)N)C
InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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International Nonproprietary Names Click here for help
INN number INN
3232 dacarbazine
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 4342-03-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL1574179
DrugBank Ligand DB00851
GtoPdb PubChem SID 315661160
PubChem CID 2942
Search Google for chemical match using the InChIKey FDKXTQMXEQVLRF-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FDKXTQMXEQVLRF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FDKXTQMXEQVLRF-UHFFFAOYSA-N