EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BXS8X8APGS
EPA CompTox	DTXSID40865675

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BXS8X8APGS

EPA CompTox

DTXSID40865675


InChI Key	AEOOLRRTECSMIN-UHFFFAOYSA-N
Smiles	CNC1CCN2c3ccccc3CCc4cccc1c24
InChI	InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3

InChI Key

AEOOLRRTECSMIN-UHFFFAOYSA-N

Smiles

CNC1CCN2c3ccccc3CCc4cccc1c24

InChI

InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3

Property Name	Value
Molecular Formula	C18H20N2
Molecular Weight	264.16
AlogP	3.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.27
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H20N2

Molecular Weight

264.16

AlogP

3.59

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.27

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	33545-56-1
NORMAN SUSDAT
FDA SRS	BXS8X8APGS

Resources

Reference

CAS NUMBER

33545-56-1

NORMAN SUSDAT

FDA SRS

BXS8X8APGS

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

CICLOPRAMINE

Structure

Physicochemical Descriptors

Cross References