EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S0U059XF2E

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S0U059XF2E


InChI Key	FKFABDZLGKRECY-UHFFFAOYSA-N
Smiles	CN1CCCCC1C(C)(C)OC(=O)C(c2ccccc2)c3ccccc3
InChI	InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3

InChI Key

FKFABDZLGKRECY-UHFFFAOYSA-N

Smiles

CN1CCCCC1C(C)(C)OC(=O)C(c2ccccc2)c3ccccc3

InChI

InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3

Property Name	Value
Molecular Formula	C23H29N1O2
Molecular Weight	351.22
AlogP	4.62
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	29.54
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H29N1O2

Molecular Weight

351.22

AlogP

4.62

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

29.54

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	28240-18-8
NORMAN SUSDAT
FDA SRS	S0U059XF2E

Resources

Reference

CAS NUMBER

28240-18-8

NORMAN SUSDAT

FDA SRS

S0U059XF2E

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

PINOLCAINE

Structure

Physicochemical Descriptors

Cross References