EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9WFD7Q5SE5
EPA CompTox	DTXSID80223730

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9WFD7Q5SE5

EPA CompTox

DTXSID80223730


InChI Key	PWDAUHQMJRBUHP-UHFFFAOYSA-N
Smiles	CN(C)c1ccc(cc1)C1(OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1ccc(cc1)N(C)C
InChI	InChI=1S/C24H20Cl4N2O2/c1-29(2)15-9-5-13(6-10-15)24(14-7-11-16(12-8-14)30(3)4)18-17(23(31)32-24)19(25)21(27)22(28)20(18)26/h5-12H,1-4H3

InChI Key

PWDAUHQMJRBUHP-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)C1(OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1ccc(cc1)N(C)C

InChI

InChI=1S/C24H20Cl4N2O2/c1-29(2)15-9-5-13(6-10-15)24(14-7-11-16(12-8-14)30(3)4)18-17(23(31)32-24)19(25)21(27)22(28)20(18)26/h5-12H,1-4H3

Property Name	Value
Molecular Formula	C24H20Cl4N2O2
Molecular Weight	508.03
AlogP	6.89
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	32.78
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C24H20Cl4N2O2

Molecular Weight

508.03

AlogP

6.89

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

32.78

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	73517-30-3
NORMAN SUSDAT
FDA SRS	9WFD7Q5SE5
PubChem	44150728
ChemSpider	21162958.0

Resources

Reference

CAS NUMBER

73517-30-3

NORMAN SUSDAT

FDA SRS

9WFD7Q5SE5

PubChem

44150728

ChemSpider

21162958.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4,5,6,7-TETRACHLORO-3,3-BIS(4-(DIMETHYLAMINO)PHENYL)PHTHALIDE

Structure

Physicochemical Descriptors

Cross References