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Chemical structure of Bendamustine HCl

GC10744

Bendamustine HCl

Also known as 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride

Bendamustine HCl (SDX-105), a purine analogue, is a DNA cross-linking agent· Bendamustine HCl activats DNA-damage stress response and apoptosis· Bendamustine HCl has potent alkylating, anticancer and antimetabolite properties

ChemicalCAS3543-75-7MW394.72FormulaC16H21Cl2N3O2·HCl
CAS number
3543-75-7
Molecular weight
394.72
Formula
C16H21Cl2N3O2·HCl
Solubility
≥ 19·736mg/mL in DMSO
InChIKey
ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Catalogue number
GC10744
Brand
GLPBIO
Computed properties PubChem CID 77082 · TPSA 58.4 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
58.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
24

SMILES CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl

Computed descriptors from PubChem (CID 77082), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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