EcoDrugPlus


Synonyms	Mitoq Mitoquinone mesylate Mitoquinone methanesulfonate
Status
Molecule Category	Salt-form
UNII	6E01CG547T
EPA CompTox	DTXSID00233573

Synonyms

Mitoq

Mitoquinone mesylate

Mitoquinone methanesulfonate

Status

Molecule Category

Salt-form

UNII

6E01CG547T

EPA CompTox

DTXSID00233573


InChI Key	GVZFUVXPTPGOQT-UHFFFAOYSA-M
Smiles	COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O.CS(=O)(=O)[O-]
InChI	InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChI Key

GVZFUVXPTPGOQT-UHFFFAOYSA-M

Smiles

COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

Property Name	Value
Molecular Formula	C38H47O7PS
Molecular Weight	678.83
AlogP	7.46
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	52.6
Heavy Atoms	42.0

Property Name

Value

Molecular Formula

C38H47O7PS

Molecular Weight

678.83

AlogP

7.46

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

16.0

Polar Surface Area

52.6

Heavy Atoms

42.0

Resources	Reference
ChEMBL	CHEMBL4074884
FDA SRS	6E01CG547T
SureChEMBL	SCHEMBL4423673

Resources

Reference

ChEMBL

CHEMBL4074884

FDA SRS

6E01CG547T

SureChEMBL

SCHEMBL4423673

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

MITOQUINONE MESYLATE

Structure

Physicochemical Descriptors

Cross References