EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RWO67D87EU
EPA CompTox	DTXSID1046760

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RWO67D87EU

EPA CompTox

DTXSID1046760


InChI Key	OGDVEMNWJVYAJL-LEPYJNQMSA-N
Smiles	CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
InChI	InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1

InChI Key

OGDVEMNWJVYAJL-LEPYJNQMSA-N

Smiles

CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C

InChI

InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1

Property Name	Value
Molecular Formula	C19H23N1O3
Molecular Weight	313.17
AlogP	1.89
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	41.93
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H23N1O3

Molecular Weight

313.17

AlogP

1.89

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

41.93

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	76-58-4
NORMAN SUSDAT
FDA SRS	RWO67D87EU
PubChem	5359271
ChemSpider	4514250.0

Resources

Reference

CAS NUMBER

76-58-4

NORMAN SUSDAT

FDA SRS

RWO67D87EU

PubChem

5359271

ChemSpider

4514250.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

ETHYLMORPHINE

Structure

Physicochemical Descriptors

Cross References