EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4V3POB2675
EPA CompTox	DTXSID00179068

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4V3POB2675

EPA CompTox

DTXSID00179068


InChI Key	VORKGRIRMPBCCZ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI	InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3

InChI Key

VORKGRIRMPBCCZ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3

Property Name	Value
Molecular Formula	C24H48O2
Molecular Weight	368.37
AlogP	8.37
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	21.0
Polar Surface Area	26.3
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H48O2

Molecular Weight

368.37

AlogP

8.37

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

21.0

Polar Surface Area

26.3

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	2433-97-8
NORMAN SUSDAT
FDA SRS	4V3POB2675
PubChem	75519
ChemSpider	68045.0

Resources

Reference

CAS NUMBER

2433-97-8

NORMAN SUSDAT

FDA SRS

4V3POB2675

PubChem

75519

ChemSpider

68045.0

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

METHYL TRICOSANOATE

Structure

Physicochemical Descriptors

Cross References