EcoDrugPlus


Synonyms	Hydromethylthionine mesylate Leucomethylene blue bismesylate Leucomethylene blue dimesylate Lmtx TRX-0237 TRX0237 Trx0237
Status
Molecule Category	Salt-form
UNII	3248SEF29D

Synonyms

Hydromethylthionine mesylate

Leucomethylene blue bismesylate

Leucomethylene blue dimesylate

Lmtx

TRX-0237

TRX0237

Trx0237

Status

Molecule Category

Salt-form

UNII

3248SEF29D


InChI Key	SPCMQFLNOVTUBM-UHFFFAOYSA-N
Smiles	CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O
InChI	InChI=1S/C16H19N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;21-5(2,3)4/h5-10,17H,1-4H3;21H3,(H,2,3,4)

InChI Key

SPCMQFLNOVTUBM-UHFFFAOYSA-N

Smiles

CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C16H19N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-10,17H,1-4H3;2*1H3,(H,2,3,4)

Property Name	Value
Molecular Formula	C18H27N3O6S3
Molecular Weight	477.63
AlogP	4.03
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	18.51
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H27N3O6S3

Molecular Weight

477.63

AlogP

4.03

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

18.51

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL4297221
FDA SRS	3248SEF29D
PubChem	60150609
SureChEMBL	SCHEMBL12470438

Resources

Reference

ChEMBL

FDA SRS

PubChem

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

HYDROMETHYLTHIONINE MESYLATE

Structure

Physicochemical Descriptors

Cross References