EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	883YNL63WU
EPA CompTox	DTXSID1048336

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

883YNL63WU

EPA CompTox

DTXSID1048336


InChI Key	BSHWLCACYCVCJE-UHFFFAOYSA-N
Smiles	CCOC(CN1CCN(CC1)CC(C)C(=O)c2ccccc2)c3ccccc3
InChI	InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3

InChI Key

BSHWLCACYCVCJE-UHFFFAOYSA-N

Smiles

CCOC(CN1CCN(CC1)CC(C)C(=O)c2ccccc2)c3ccccc3

InChI

InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3

Property Name	Value
Molecular Formula	C24H32N2O2
Molecular Weight	380.25
AlogP	3.9
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	32.78
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H32N2O2

Molecular Weight

380.25

AlogP

3.9

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

32.78

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	10402-90-1
NORMAN SUSDAT
FDA SRS	883YNL63WU
PubChem	3245
ChemSpider	3132.0

Resources

Reference

CAS NUMBER

10402-90-1

NORMAN SUSDAT

FDA SRS

883YNL63WU

PubChem

3245

ChemSpider

3132.0

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

EPRAZINONE

Structure

Physicochemical Descriptors

Cross References