EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZSJ254W6SF
EPA CompTox	DTXSID60189244

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZSJ254W6SF

EPA CompTox

DTXSID60189244


InChI Key	BBIMHFSPNXQFAH-UHFFFAOYSA-N
Smiles	CN(C)CCOC(C)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C18H23NO/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3

InChI Key

BBIMHFSPNXQFAH-UHFFFAOYSA-N

Smiles

CN(C)CCOC(C)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C18H23NO/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3

Property Name	Value
Molecular Formula	C18H23N1O1
Molecular Weight	269.18
AlogP	3.53
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H23N1O1

Molecular Weight

269.18

AlogP

3.53

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

12.47

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	3572-74-5
NORMAN SUSDAT
FDA SRS	ZSJ254W6SF
PubChem	19142
ChemSpider	18062.0

Resources

Reference

CAS NUMBER

3572-74-5

NORMAN SUSDAT

FDA SRS

ZSJ254W6SF

PubChem

19142

ChemSpider

18062.0

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

MOXASTINE

Structure

Physicochemical Descriptors

Cross References