EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	VV0B5MP6VI

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

VV0B5MP6VI


InChI Key	OETCFVMENJQTTM-UHFFFAOYSA-N
Smiles	[Cl-].[Cl-].C[N+](C)(C)CCCCCOCCCCC[N+](C)(C)C
InChI	InChI=1S/C16H38N2O/c1-17(2,3)13-9-7-11-15-19-16-12-8-10-14-18(4,5)6/h7-16H2,1-6H3/q+2

InChI Key

OETCFVMENJQTTM-UHFFFAOYSA-N

Smiles

[Cl-].[Cl-].C[N+](C)(C)CCCCCOCCCCC[N+](C)(C)C

InChI

InChI=1S/C16H38N2O/c1-17(2,3)13-9-7-11-15-19-16-12-8-10-14-18(4,5)6/h7-16H2,1-6H3/q+2

Property Name	Value
Molecular Formula	C16H38N2O1
Molecular Weight	274.3
AlogP	2.76
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	9.23
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H38N2O1

Molecular Weight

274.3

AlogP

2.76

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

9.23

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	7174-23-4
NORMAN SUSDAT
FDA SRS	VV0B5MP6VI

Resources

Reference

CAS NUMBER

7174-23-4

NORMAN SUSDAT

FDA SRS

VV0B5MP6VI

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...

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Last update: Monday, 3 November 2025

OXYDIPENTONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References