EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V769W4E7AC
EPA CompTox	DTXSID40239610

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V769W4E7AC

EPA CompTox

DTXSID40239610


InChI Key	GZUFZHNCCSFMSZ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(=O)CC(=O)C
InChI	InChI=1S/C23H34O5/c1-3-4-5-6-7-8-9-10-11-23(26)28-17-16-27-21-14-12-20(13-15-21)22(25)18-19(2)24/h12-15H,3-11,16-18H2,1-2H3

InChI Key

GZUFZHNCCSFMSZ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(=O)CC(=O)C

InChI

InChI=1S/C23H34O5/c1-3-4-5-6-7-8-9-10-11-23(26)28-17-16-27-21-14-12-20(13-15-21)22(25)18-19(2)24/h12-15H,3-11,16-18H2,1-2H3

Property Name	Value
Molecular Formula	C23H34O5
Molecular Weight	390.24
AlogP	5.3
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	16.0
Polar Surface Area	69.67
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C23H34O5

Molecular Weight

390.24

AlogP

5.3

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

16.0

Polar Surface Area

69.67

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	93777-20-9
NORMAN SUSDAT
FDA SRS	V769W4E7AC
PubChem	3022294
ChemSpider	2288845.0

Resources

Reference

CAS NUMBER

93777-20-9

NORMAN SUSDAT

FDA SRS

V769W4E7AC

PubChem

3022294

ChemSpider

2288845.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-(4-(1,3-DIOXOBUTYL)PHENOXY)ETHYL UNDECANOATE

Structure

Physicochemical Descriptors

Cross References