EcoDrugPlus


Synonyms	Basic blue 17 Blutene Blutene chloride C.i. 52040 C.i. basic blue 17 Ci 52040 Gabilin Menodin NSC-11225 NSC-36758 Schultz 1041 Tolazul Tolonium chloride Toluidine blue o Toluidine blue oo
Status
Molecule Category	Salt-form
UNII	15XUH0X66N
EPA CompTox	DTXSID9048728

Synonyms

Basic blue 17

Blutene

Blutene chloride

C.i. 52040

C.i. basic blue 17

Ci 52040

Gabilin

Menodin

NSC-11225

NSC-36758

Schultz 1041

Tolazul

Tolonium chloride

Toluidine blue o

Toluidine blue oo

Status

Molecule Category

Salt-form

UNII

15XUH0X66N

EPA CompTox

DTXSID9048728


InChI Key	HNONEKILPDHFOL-UHFFFAOYSA-M
Smiles	Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-]
InChI	InChI=1S/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1

InChI Key

HNONEKILPDHFOL-UHFFFAOYSA-M

Smiles

Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-]

InChI

InChI=1S/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C15H16ClN3S
Molecular Weight	305.83
AlogP	3.69
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	42.15
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H16ClN3S

Molecular Weight

305.83

AlogP

3.69

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

42.15

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Other cytosolic protein	-	69	-	69	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Other cytosolic protein

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	69	-	69	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Resources	Reference
CAS NUMBER	92-31-9
ChEBI	87647
ChEMBL	CHEMBL1790006
FDA SRS	15XUH0X66N
SureChEMBL	SCHEMBL122592

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

FDA SRS

SureChEMBL

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, 27^th July 2026

TOLONIUM CHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References