EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	MT7O310S39

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

MT7O310S39


InChI Key	BERBZXJLIGDNCW-UHFFFAOYSA-N
Smiles	[Cl-].Cc1cc(C=Cc2ccc3cc(N)ccc3[n+]2C)c(C)n1c4ccccc4
InChI	InChI=1S/C24H24N3/c1-17-15-19(18(2)27(17)23-7-5-4-6-8-23)9-12-22-13-10-20-16-21(25)11-14-24(20)26(22)3/h4-16H,25H2,1-3H3/q+1

InChI Key

BERBZXJLIGDNCW-UHFFFAOYSA-N

Smiles

[Cl-].Cc1cc(C=Cc2ccc3cc(N)ccc3[n+]2C)c(C)n1c4ccccc4

InChI

InChI=1S/C24H24N3/c1-17-15-19(18(2)27(17)23-7-5-4-6-8-23)9-12-22-13-10-20-16-21(25)11-14-24(20)26(22)3/h4-16H,25H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C24H24N3
Molecular Weight	354.2
AlogP	4.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	34.83
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H24N3

Molecular Weight

354.2

AlogP

4.82

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

34.83

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	548-84-5
NORMAN SUSDAT
FDA SRS	MT7O310S39

Resources

Reference

CAS NUMBER

548-84-5

NORMAN SUSDAT

FDA SRS

MT7O310S39

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

PYRVINIUM CHLORIDE

Structure

Physicochemical Descriptors

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