EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00178697

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00178697


InChI Key	AUFVJZSDSXXFOI-UHFFFAOYSA-N
Smiles	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
InChI	InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2

InChI Key

AUFVJZSDSXXFOI-UHFFFAOYSA-N

Smiles

C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2

InChI

InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2

Property Name	Value
Molecular Formula	C18H36N2O6
Molecular Weight	376.26
AlogP	-0.28
Hydrogen Bond Acceptor	8.0
Polar Surface Area	61.86
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H36N2O6

Molecular Weight

376.26

AlogP

-0.28

Hydrogen Bond Acceptor

8.0

Polar Surface Area

61.86

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	23978-09-8
NORMAN SUSDAT
PubChem	72801
ChemSpider	65637.0

Resources

Reference

CAS NUMBER

23978-09-8

NORMAN SUSDAT

PubChem

72801

ChemSpider

65637.0

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

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Structure

Physicochemical Descriptors

Cross References