EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0A0800O89N
EPA CompTox	DTXSID90861521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0A0800O89N

EPA CompTox

DTXSID90861521


InChI Key	PMBLXLOXUGVTGB-UHFFFAOYSA-N
Smiles	O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2
InChI	InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2

InChI Key

PMBLXLOXUGVTGB-UHFFFAOYSA-N

Smiles

O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2

InChI

InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2

Property Name	Value
Molecular Formula	C25H32N2O
Molecular Weight	376.25
AlogP	5.31
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	32.34
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C25H32N2O

Molecular Weight

376.25

AlogP

5.31

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

32.34

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	142852-50-4
NORMAN SUSDAT
FDA SRS	0A0800O89N
PubChem	198752

Resources

Reference

CAS NUMBER

142852-50-4

NORMAN SUSDAT

FDA SRS

0A0800O89N

PubChem

198752

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

ZANAPEZIL

Structure

Physicochemical Descriptors

Cross References