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Chemical structure of N-Desmethylbendamustine

GC44348

N-Desmethylbendamustine

Also listed as N-desmethyl Bendamustine

N-desmethyl Bendamustine is an active metabolite of the DNA alkylating agent bendamustine

ChemicalCAS41515-13-3MW344.2FormulaC15H19Cl2N3O2
CAS number
41515-13-3
Molecular weight
344.2
Formula
C15H19Cl2N3O2
Solubility
Acetonitrile：Methanol (1：1)： soluble,DMSO： soluble
InChIKey
BPZIKXXNXMYQPN-UHFFFAOYSA-N
Catalogue number
GC44348
Brand
GLPBIO
Computed properties PubChem CID 24882536 · XLogP 2.9 · TPSA 69.2 Ų · H-bond donors 2
XLogP
2.9
TPSA
69.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
22

SMILES C1=CC2=C(C=C1N(CCCl)CCCl)NC(=N2)CCCC(=O)O

Computed descriptors from PubChem (CID 24882536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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