bendamustine   Click here for help

GtoPdb Ligand ID: 7478

Synonyms: Levact® | SDX-105 | Treanda®
Approved drug
bendamustine is an approved drug (FDA (2008), UK (2010))
Compound class: Synthetic organic
Comment: The marketed formulation contains the hydrochloride salt (PubChem CID 77082).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 58.36
Molecular weight 357.1
XLogP 3.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl
Isomeric SMILES ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl
InChI InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
InChI Key YTKUWDBFDASYHO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008), UK (2010))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
International Nonproprietary Names Click here for help
INN number INN
5228 bendamustine
Synonyms Click here for help
Levact® | SDX-105 | Treanda®
Database Links Click here for help
CAS Registry No. 16506-27-7
ChEMBL Ligand CHEMBL487253
DrugCentral Ligand 302
GtoPdb PubChem SID 187051781
PubChem CID 65628
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Wikipedia Bendamustine