EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M92REH8ZZP
EPA CompTox	DTXSID40167020

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M92REH8ZZP

EPA CompTox

DTXSID40167020


InChI Key	FWNHTEHWJKUVPG-UHFFFAOYSA-N
Smiles	CN(C)C(=O)Oc1cc(ccc1)N(C)C
InChI	InChI=1S/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3

InChI Key

FWNHTEHWJKUVPG-UHFFFAOYSA-N

Smiles

CN(C)C(=O)Oc1cc(ccc1)N(C)C

InChI

InChI=1S/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3

Property Name	Value
Molecular Formula	C11H16N2O2
Molecular Weight	208.12
AlogP	1.81
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	32.78
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H16N2O2

Molecular Weight

208.12

AlogP

1.81

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

32.78

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	16088-19-0
NORMAN SUSDAT
FDA SRS	M92REH8ZZP
PubChem	44957
ChemSpider	40901.0

Resources

Reference

CAS NUMBER

16088-19-0

NORMAN SUSDAT

FDA SRS

M92REH8ZZP

PubChem

44957

ChemSpider

40901.0

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

NORNEOSTIGMINE

Structure

Physicochemical Descriptors

Cross References