EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7Z86790OMA
EPA CompTox	DTXSID00939780

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7Z86790OMA

EPA CompTox

DTXSID00939780


InChI Key	FAQGZHFLASTWAV-IHLKXGHLSA-N
Smiles	OCC1C2NC=3C=CC=CC3C42CCN5CC(CC)C1CC54
InChI	InChI=1/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3

InChI Key

FAQGZHFLASTWAV-IHLKXGHLSA-N

Smiles

OCC1C2NC=3C=CC=CC3C42CCN5CC(CC)C1CC54

InChI

InChI=1/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3

Property Name	Value
Molecular Formula	C19H26N2O
Molecular Weight	298.2
AlogP	2.46
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	35.5
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H26N2O

Molecular Weight

298.2

AlogP

2.46

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

35.5

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	18397-07-4
NORMAN SUSDAT
FDA SRS	7Z86790OMA
PubChem	20054921

Resources

Reference

CAS NUMBER

18397-07-4

NORMAN SUSDAT

FDA SRS

7Z86790OMA

PubChem

20054921

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

PEREIRINE

Structure

Physicochemical Descriptors

Cross References