EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	12058M7ORO
EPA CompTox	DTXSID1025512

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

12058M7ORO

EPA CompTox

DTXSID1025512


InChI Key	FDZZZRQASAIRJF-UHFFFAOYSA-M
Smiles	[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3
InChI	InChI=1/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1

InChI Key

FDZZZRQASAIRJF-UHFFFAOYSA-M

Smiles

[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3

InChI

InChI=1/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C23H25ClN2
Molecular Weight	364.17
AlogP	1.4
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	6.25
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H25ClN2

Molecular Weight

364.17

AlogP

1.4

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

6.25

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	569-64-2
NORMAN SUSDAT
FDA SRS	12058M7ORO
PubChem	11294

Resources

Reference

CAS NUMBER

569-64-2

NORMAN SUSDAT

FDA SRS

12058M7ORO

PubChem

11294

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

MALACHITE GREEN

Structure

Physicochemical Descriptors

Cross References