EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ULN97J4BWC
EPA CompTox	DTXSID30233581

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ULN97J4BWC

EPA CompTox

DTXSID30233581


InChI Key	SALMMXBIIDVDTN-UHFFFAOYSA-N
Smiles	Oc1cc2c(cccc2NCC(=O)N2CCOCC2)cc1
InChI	InChI=1S/C16H18N2O3/c19-13-5-4-12-2-1-3-15(14(12)10-13)17-11-16(20)18-6-8-21-9-7-18/h1-5,10,17,19H,6-9,11H2

InChI Key

SALMMXBIIDVDTN-UHFFFAOYSA-N

Smiles

Oc1cc2c(cccc2NCC(=O)N2CCOCC2)cc1

InChI

InChI=1S/C16H18N2O3/c19-13-5-4-12-2-1-3-15(14(12)10-13)17-11-16(20)18-6-8-21-9-7-18/h1-5,10,17,19H,6-9,11H2

Property Name	Value
Molecular Formula	C16H18N2O3
Molecular Weight	286.13
AlogP	1.82
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	61.8
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H18N2O3

Molecular Weight

286.13

AlogP

1.82

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

61.8

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	84604-37-5
NORMAN SUSDAT
FDA SRS	ULN97J4BWC
PubChem	3019974
ChemSpider	2286997.0

Resources

Reference

CAS NUMBER

84604-37-5

NORMAN SUSDAT

FDA SRS

ULN97J4BWC

PubChem

3019974

ChemSpider

2286997.0

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

4-(((7-HYDROXY-1-NAPHTHYL)AMINO)ACETYL)MORPHOLINE

Structure

Physicochemical Descriptors

Cross References