EcoDrugPlus


Synonyms	Difemerine hcl Difemerine hydrochloride Luostyl
Status
Molecule Category	Salt-form
UNII	00JM91Q28F

Synonyms

Difemerine hcl

Difemerine hydrochloride

Luostyl

Status

Molecule Category

Salt-form

UNII

00JM91Q28F


InChI Key	QRHDDSUGMIAILK-UHFFFAOYSA-N
Smiles	CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
InChI	InChI=1S/C20H25NO3.ClH/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H

InChI Key

QRHDDSUGMIAILK-UHFFFAOYSA-N

Smiles

CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl

InChI

InChI=1S/C20H25NO3.ClH/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H

Property Name	Value
Molecular Formula	C20H26ClNO3
Molecular Weight	363.89
AlogP	2.81
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	49.77
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H26ClNO3

Molecular Weight

363.89

AlogP

2.81

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

49.77

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL3301670
FDA SRS	00JM91Q28F
PubChem	3085423
SureChEMBL	SCHEMBL2257209

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...

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

Last update: Monday, 3 November 2025

DIFEMERINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References