EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L3L0CM26R6
EPA CompTox	DTXSID60866583

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L3L0CM26R6

EPA CompTox

DTXSID60866583


InChI Key	UWDDRCRFIZGSCD-UHFFFAOYSA-N
Smiles	C#CC1(OCC(O)CN2CCN(C=3C=CC=CC3OC)CC2)CCCCC1
InChI	InChI=1/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3

InChI Key

UWDDRCRFIZGSCD-UHFFFAOYSA-N

Smiles

C#CC1(OCC(O)CN2CCN(C=3C=CC=CC3OC)CC2)CCCCC1

InChI

InChI=1/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3

Property Name	Value
Molecular Formula	C22H32N2O3
Molecular Weight	372.24
AlogP	2.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	45.17
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C22H32N2O3

Molecular Weight

372.24

AlogP

2.53

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

45.17

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	56693-13-1
NORMAN SUSDAT
FDA SRS	L3L0CM26R6
PubChem	68762

Resources

Reference

CAS NUMBER

56693-13-1

NORMAN SUSDAT

FDA SRS

L3L0CM26R6

PubChem

68762

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

MOCIPRAZINE

Structure

Physicochemical Descriptors

Cross References