EcoDrugPlus


Trade Names	BELRAPZO BENDAMUSTINE HYDROCHLORIDE BENDEKA TREANDA
Synonyms	Belrapzo Bendamustine hcl Bendamustine hydrochloride Bendeka NSC-138783 Ribomustin Ribomustine SDX-105 SYB L-0501 SYBL-0501 Treanda
Status
Molecule Category	Salt-form
UNII	981Y8SX18M
EPA CompTox	DTXSID40188912
Parent Compound:	BENDAMUSTINE

Trade Names

BELRAPZO

BENDAMUSTINE HYDROCHLORIDE

BENDEKA

TREANDA

Synonyms

Belrapzo

Bendamustine hcl

Bendamustine hydrochloride

Bendeka

NSC-138783

Ribomustin

Ribomustine

SDX-105

SYB L-0501

SYBL-0501

Treanda

Status

Molecule Category

Salt-form

UNII

981Y8SX18M

EPA CompTox

DTXSID40188912

Parent Compound:

BENDAMUSTINE


InChI Key	ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Smiles	Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
InChI	InChI=1S/C16H21Cl2N3O2.ClH/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);1H

InChI Key

ZHSKUOZOLHMKEA-UHFFFAOYSA-N

Smiles

Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21

InChI

InChI=1S/C16H21Cl2N3O2.ClH/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);1H

Property Name	Value
Molecular Formula	C16H22Cl3N3O2
Molecular Weight	394.73
AlogP	3.26
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	58.36
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C16H22Cl3N3O2

Molecular Weight

394.73

AlogP

3.26

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

58.36

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

23.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA

Mechanism of Action

Action

Reference

DNA inhibitor

INHIBITOR

FDA

Resources	Reference
ChEMBL	CHEMBL1201734
FDA SRS	981Y8SX18M
PubChem	77082
SureChEMBL	SCHEMBL18843

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

BENDAMUSTINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References