EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AD7AUS3GKT
EPA CompTox	DTXSID90232090

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AD7AUS3GKT

EPA CompTox

DTXSID90232090


InChI Key	WMSUFWLPZLCIHP-UHFFFAOYSA-N
Smiles	O=C(OCC1c2ccccc2-c2ccccc12)ON1C(=O)CCC1=O
InChI	InChI=1S/C19H15NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2

InChI Key

WMSUFWLPZLCIHP-UHFFFAOYSA-N

Smiles

O=C(OCC1c2ccccc2-c2ccccc12)ON1C(=O)CCC1=O

InChI

InChI=1S/C19H15NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2

Property Name	Value
Molecular Formula	C19H15N1O5
Molecular Weight	337.1
AlogP	3.02
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	72.91
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H15N1O5

Molecular Weight

337.1

AlogP

3.02

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

72.91

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	82911-69-1
NORMAN SUSDAT
FDA SRS	AD7AUS3GKT
PubChem	134122
ChemSpider	118264.0

Resources

Reference

CAS NUMBER

82911-69-1

NORMAN SUSDAT

FDA SRS

AD7AUS3GKT

PubChem

134122

ChemSpider

118264.0

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

9-FLUORENYLMETHYLSUCCINIMIDYL CARBONATE

Structure

Physicochemical Descriptors

Cross References