EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WF9SK6T4CB
EPA CompTox	DTXSID90239721

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WF9SK6T4CB

EPA CompTox

DTXSID90239721


InChI Key	QZZPCOBRIQUCOP-UHFFFAOYSA-N
Smiles	CC(=O)OCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12
InChI	InChI=1S/C17H17NO7/c1-10(19)24-7-6-18-15(20)9-25-14-8-13(17(22)23)16(21)12-5-3-2-4-11(12)14/h2-5,8,21H,6-7,9H2,1H3,(H,18,20)(H,22,23)

InChI Key

QZZPCOBRIQUCOP-UHFFFAOYSA-N

Smiles

CC(=O)OCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12

InChI

InChI=1S/C17H17NO7/c1-10(19)24-7-6-18-15(20)9-25-14-8-13(17(22)23)16(21)12-5-3-2-4-11(12)14/h2-5,8,21H,6-7,9H2,1H3,(H,18,20)(H,22,23)

Property Name	Value
Molecular Formula	C17H17N1O7
Molecular Weight	347.1
AlogP	2.14
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	125.65
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C17H17N1O7

Molecular Weight

347.1

AlogP

2.14

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

125.65

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	93820-07-6
NORMAN SUSDAT
FDA SRS	WF9SK6T4CB
PubChem	3022516
ChemSpider	2288997.0

Resources

Reference

CAS NUMBER

93820-07-6

NORMAN SUSDAT

FDA SRS

WF9SK6T4CB

PubChem

3022516

ChemSpider

2288997.0

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-(2-((2-(ACETOXY)ETHYL)AMINO)-2-OXOETHOXY)-1-HYDROXY-2-NAPHTHOIC ACID

Structure

Physicochemical Descriptors

Cross References