EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7Q24AL2BR2
EPA CompTox	DTXSID90881401

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7Q24AL2BR2

EPA CompTox

DTXSID90881401


InChI Key	RCYBMSQOSGJZLO-BGWNEDDSSA-N
Smiles	O=C(C=1C=CC=CC1)CN2CCC34C5=CC(O)=CC=C5CC2C4CCCC3
InChI	InChI=1/C24H27NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,26H,4-5,8,11-14,16H2

InChI Key

RCYBMSQOSGJZLO-BGWNEDDSSA-N

Smiles

O=C(C=1C=CC=CC1)CN2CCC34C5=CC(O)=CC=C5CC2C4CCCC3

InChI

InChI=1/C24H27NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,26H,4-5,8,11-14,16H2

Property Name	Value
Molecular Formula	C24H27NO2
Molecular Weight	361.2
AlogP	4.33
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	40.54
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H27NO2

Molecular Weight

361.2

AlogP

4.33

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

40.54

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	10061-32-2
NORMAN SUSDAT
FDA SRS	7Q24AL2BR2
PubChem	5362482

Resources

Reference

CAS NUMBER

10061-32-2

NORMAN SUSDAT

FDA SRS

7Q24AL2BR2

PubChem

5362482

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

LEVOPHENACYLMORPHAN

Structure

Physicochemical Descriptors

Cross References