EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DWL616XF1K
EPA CompTox	DTXSID0023408

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DWL616XF1K

EPA CompTox

DTXSID0023408


InChI Key	GDYUVHBMFVMBAF-UHFFFAOYSA-N
Smiles	COc1cccc(c1)C(=O)CCNC(C)C(O)c1ccccc1
InChI	InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3

InChI Key

GDYUVHBMFVMBAF-UHFFFAOYSA-N

Smiles

COc1cccc(c1)C(=O)CCNC(C)C(O)c1ccccc1

InChI

InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3

Property Name	Value
Molecular Formula	C19H23N1O3
Molecular Weight	313.17
AlogP	2.98
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	58.56
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H23N1O3

Molecular Weight

313.17

AlogP

2.98

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

58.56

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	15687-41-9
NORMAN SUSDAT
FDA SRS	DWL616XF1K
PubChem	27454
ChemSpider	25548.0

Resources

Reference

CAS NUMBER

15687-41-9

NORMAN SUSDAT

FDA SRS

DWL616XF1K

PubChem

27454

ChemSpider

25548.0

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

OXYFEDRINE

Structure

Physicochemical Descriptors

Cross References