Bendamustine dodecyl ester
dodecyl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
Molecular Identity
Bendamustine dodecyl ester
dodecyl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
PubChem CID: 73776234
2D Structure
Properties
C28H45Cl2N3O2
Molecular Formula
526.60
Molecular Weight
g/mol
525.2889
Exact Mass
Da
8.8
XLogP
Above Lipinski threshold
47.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
548
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCCl)CCClIsomeric SMILES
SMILES: CCCCCCCCCCCCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCCl)CCClSynonyms(20)
Bendamustine dodecyl esterUNII-22C7JIO84ODodecyl 4-(5-(bis(2-chloroethyl)amino)-1-methyl-benzimidazol-2-yl)butanoate1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, dodecyl esterRefChem:116971RXDX 107Bendamustine-containing Nanoparticle-based Formulation RXDX-107CEP-401251456608-94-8RXDX-10722C7JIO84Ododecyl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoateorb1700894CHEMBL4297425SCHEMBL15696736
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bendamustine dodecyl ester
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