EcoDrugPlus


Synonyms	Belotecan hcl Belotecan hydrochloride CKD-602
Status
Molecule Category	Salt-form
UNII	01DZ4127G7
EPA CompTox	DTXSID60175647
Parent Compound:	BELOTECAN

Synonyms

Belotecan hcl

Belotecan hydrochloride

CKD-602

Status

Molecule Category

Salt-form

UNII

01DZ4127G7

EPA CompTox

DTXSID60175647

Parent Compound:

BELOTECAN


InChI Key	SJKBXKKZBKCHET-UQIIZPHYSA-N
Smiles	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C.Cl
InChI	InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1

InChI Key

SJKBXKKZBKCHET-UQIIZPHYSA-N

Smiles

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C.Cl

InChI

InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1

Property Name	Value
Molecular Formula	C25H28ClN3O4
Molecular Weight	469.97
AlogP	2.62
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	93.45
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C25H28ClN3O4

Molecular Weight

469.97

AlogP

2.62

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

93.45

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

32.0

Resources	Reference
ChEMBL	CHEMBL2107315
FDA SRS	01DZ4127G7
PubChem	6918340
SureChEMBL	SCHEMBL1651143

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BELOTECAN HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References