EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	V2WIJ52V0W
EPA CompTox	DTXSID5042459

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

V2WIJ52V0W

EPA CompTox

DTXSID5042459


InChI Key	HJNAJKBRYDFICV-UHFFFAOYSA-M
Smiles	[Br-].C=1C=C[N+](=CC1)CCCCCCCCCCCCCC
InChI	InChI=1/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1

InChI Key

HJNAJKBRYDFICV-UHFFFAOYSA-M

Smiles

[Br-].C=1C=C[N+](=CC1)CCCCCCCCCCCCCC

InChI

InChI=1/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C19H34N
Molecular Weight	355.19
AlogP	2.68
Number of Rotational Bond	13.0
Polar Surface Area	3.88
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H34N

Molecular Weight

355.19

AlogP

2.68

Number of Rotational Bond

13.0

Polar Surface Area

3.88

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	1155-74-4
NORMAN SUSDAT
FDA SRS	V2WIJ52V0W
PubChem	62379

Resources

Reference

CAS NUMBER

1155-74-4

NORMAN SUSDAT

FDA SRS

V2WIJ52V0W

PubChem

62379

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

1-TETRADECYLPYRIDINIUM BROMIDE

Structure

Physicochemical Descriptors

Cross References