EcoDrugPlus


Synonyms	Dt 2 (surfactant) Miramistin Myramistin
Status
Molecule Category	Free-form
UNII	QL5J8F55LH

Synonyms

Dt 2 (surfactant)

Miramistin

Myramistin

Status

Molecule Category

Free-form

UNII

QL5J8F55LH


InChI Key	JQQZCIIDNVIQKO-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChI	InChI=1S/C26H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H

InChI Key

JQQZCIIDNVIQKO-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]

InChI

InChI=1S/C26H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H

Property Name	Value
Molecular Formula	C26H47ClN2O
Molecular Weight	439.13
AlogP	6.47
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	29.1
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C26H47ClN2O

Molecular Weight

439.13

AlogP

6.47

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

29.1

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL4650346
FDA SRS	QL5J8F55LH

Resources

Reference

ChEMBL

CHEMBL4650346

FDA SRS

QL5J8F55LH

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MIRAMISTIN

Structure

Physicochemical Descriptors

Cross References