EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E33L6C08A5

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E33L6C08A5


InChI Key	QESTYTNSJJTQCI-UHFFFAOYSA-N
Smiles	COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2
InChI	InChI=1/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3

InChI Key

QESTYTNSJJTQCI-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2

InChI

InChI=1/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3

Property Name	Value
Molecular Formula	C19H24N2O4
Molecular Weight	344.17
AlogP	1.96
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	76.4
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H24N2O4

Molecular Weight

344.17

AlogP

1.96

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

76.4

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	15534-05-1
NORMAN SUSDAT
FDA SRS	E33L6C08A5

Resources

Reference

CAS NUMBER

15534-05-1

NORMAN SUSDAT

FDA SRS

E33L6C08A5

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

PIPRATECOL

Structure

Physicochemical Descriptors

Cross References