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N-Desmethyl Bendamustine

CAT: 0013-GTR19241528-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241528-02Size:50 mg
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Description
N-Desmethyl Bendamustine is the primary active metabolite of the chemotherapeutic agent Bendamustine. It demonstrates cytotoxic activity in vitro against lymphoma cell lines and lymphocytes, supporting its study in oncology research for investigating drug metabolism and anti-cancer mechanisms.
CAS Number
41515-13-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (O) CCCC1=NC=2C=CC (=CC2N1) N (CCCl) CCCl
Molecular Formula
C15H19Cl2N3O2
Molecular Weight
344.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Desmethylbendamustine
CAS Number41515-13-3
PubChem CID24882536
IUPAC Name4-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]butanoic acid
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.2
XLogP2.9
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity354
SMILES
C1=CC2=C(C=C1N(CCCl)CCCl)NC(=N2)CCCC(=O)O
InChI
InChI=1S/C15H19Cl2N3O2/c16-6-8-20(9-7-17)11-4-5-12-13(10-11)19-14(18-12)2-1-3-15(21)22/h4-5,10H,1-3,6-9H2,(H,18,19)(H,21,22)
InChIKey
BPZIKXXNXMYQPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethylbendamustine
CAS: 41515-13-3
CID: 24882536
Formula: C15H19Cl2N3O2
MW: 344.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.2
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass343.0854322
Monoisotopic Mass343.0854322
Topological Polar Surface Area69.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T203117-01N-Desmethyl Bendamustine
AR-B06204-01Bendamustine N-Desmethyl Impurity Hydrochloride
AR-B01118-01Bendamustine Desmethyl Impurity
TRC-D291030-50MGDesmethyl Bendamustine Hydrochloride
CS-O-59215N-nitroso N-desmethyl Bendamustine (NDSRI-2)
HY-143932S-01Desmethyl Bendamustine-d8 (hydrochloride)
TRC-D291032-25MGDesmethyl Bendamustine-D6 Hydrochloride
AR-B06202-01Bendamustine Impurity 5-d8 HCl (Bendamustine Desmethyl Impurity-d8 HCl)
AR-B06193-01Bendamustine Impurity 5-d4 (Desmethyl Impurity)
CS-EO-01216N-Nitroso Bendamustine Impurity

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