EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	O14NF38MTL
EPA CompTox	DTXSID10189315

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

O14NF38MTL

EPA CompTox

DTXSID10189315


InChI Key	FPTOUQZVCUIPHY-UHFFFAOYSA-N
Smiles	CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI	InChI=1S/C24H33NO3/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4/h7-16,20H,5-6,17-19H2,1-4H3

InChI Key

FPTOUQZVCUIPHY-UHFFFAOYSA-N

Smiles

CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C

InChI

InChI=1S/C24H33NO3/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4/h7-16,20H,5-6,17-19H2,1-4H3

Property Name	Value
Molecular Formula	C24H33NO3
Molecular Weight	383.25
AlogP	4.49
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	11.0
Polar Surface Area	38.77
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H33NO3

Molecular Weight

383.25

AlogP

4.49

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

11.0

Polar Surface Area

38.77

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	3579-62-2
NORMAN SUSDAT
FDA SRS	O14NF38MTL
PubChem	71130
ChemSpider	64278.0

Resources

Reference

CAS NUMBER

3579-62-2

NORMAN SUSDAT

FDA SRS

O14NF38MTL

PubChem

71130

ChemSpider

64278.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DENAVERINE

Structure

Physicochemical Descriptors

Cross References