bendamustine   

GtoPdb Ligand ID: 7478

Synonyms: Levact® | SDX-105 | Treanda®
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
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
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
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
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
International Nonproprietary Names
INN number INN
5228 bendamustine
Synonyms
Levact® | SDX-105 | Treanda®
Database Links
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