EcoDrugPlus


Keyword(s):	Human Neurotoxin ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	SX6K58TVWC
EPA CompTox	DTXSID0037237

Keyword(s):

Human Neurotoxin ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

SX6K58TVWC

EPA CompTox

DTXSID0037237


InChI Key	ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Smiles	COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
InChI	InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

InChI Key

ZNNLBTZKUZBEKO-UHFFFAOYSA-N

Smiles

COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1

InChI

InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

Property Name	Value
Molecular Formula	C23H28Cl1N3O5S1
Molecular Weight	493.14
AlogP	4.42
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	120.58
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C23H28Cl1N3O5S1

Molecular Weight

493.14

AlogP

4.42

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

120.58

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	10238-21-8
NORMAN SUSDAT
FDA SRS	SX6K58TVWC
PubChem	3488
ChemSpider	3368.0

Resources

Reference

CAS NUMBER

10238-21-8

NORMAN SUSDAT

FDA SRS

SX6K58TVWC

PubChem

3488

ChemSpider

3368.0

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

GLYBENCLAMIDE

Structure

Physicochemical Descriptors

Cross References