lomustine   Click here for help

GtoPdb Ligand ID: 7214

Synonyms: CCNU | CeeNU®
Approved drug
lomustine is an approved drug (FDA (1976))
Compound class: Synthetic organic
Comment: Lomustine is an antineoplastic DNA alkylating agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 65.26
Molecular weight 233.09
XLogP 2.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCCN(C(=NC1CCCCC1)O)N=O
Isomeric SMILES ClCCN(C(=NC1CCCCC1)O)N=O
InChI InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChI Key GQYIWUVLTXOXAJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1976))
IUPAC Name Click here for help
2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine
International Nonproprietary Names Click here for help
INN number INN
3184 lomustine
Synonyms Click here for help
CCNU | CeeNU®
Database Links Click here for help
CAS Registry No. 13010-47-4
ChEMBL Ligand CHEMBL514
DrugBank Ligand DB01206
DrugCentral Ligand 1596
GtoPdb PubChem SID 178103789
PubChem CID 3950
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Wikipedia Lomustine