EcoDrugPlus


Synonyms	Dextofisopam R-TOFISOPAM
Status
Molecule Category	Free-form
UNII	EZ15I5D6C1
EPA CompTox	DTXSID00231554


InChI Key	RUJBDQSFYCKFAA-HNNXBMFYSA-N
Smiles	CC[C@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChI	InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1

Property Name	Value
Molecular Formula	C22H26N2O4
Molecular Weight	382.46
AlogP	4.44
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	61.64
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	28.0

Resources	Reference
ChEMBL	CHEMBL2107331
DrugBank	DB06582
FDA SRS	EZ15I5D6C1
PubChem	204105
SureChEMBL	SCHEMBL236796
ZINC	ZINC000000608106

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

DEXTOFISOPAM

Structure

Physicochemical Descriptors

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