EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L6X660925G
EPA CompTox	DTXSID3057806

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L6X660925G

EPA CompTox

DTXSID3057806


InChI Key	KSQCNASWXSCJTD-UHFFFAOYSA-N
Smiles	[H+].[H+].[Cl-].[Cl-].COc1ccccc1N2CCN(CC2)CC(O)COc3cc(OC)c(OC)c(OC)c3
InChI	InChI=1S/C23H32N2O6/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3

InChI Key

KSQCNASWXSCJTD-UHFFFAOYSA-N

Smiles

[H+].[H+].[Cl-].[Cl-].COc1ccccc1N2CCN(CC2)CC(O)COc3cc(OC)c(OC)c(OC)c3

InChI

InChI=1S/C23H32N2O6/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3

Property Name	Value
Molecular Formula	C23H32N2O6
Molecular Weight	432.23
AlogP	2.28
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	72.86
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C23H32N2O6

Molecular Weight

432.23

AlogP

2.28

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

72.86

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	68576-86-3
NORMAN SUSDAT
FDA SRS	L6X660925G

Resources

Reference

CAS NUMBER

68576-86-3

NORMAN SUSDAT

FDA SRS

L6X660925G

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

ENCIPRAZINE

Structure

Physicochemical Descriptors

Cross References