EcoDrugPlus


Synonyms	Pentalyte Tis-u-sol
Status
Molecule Category	Free-form

Synonyms

Pentalyte

Tis-u-sol

Status

Molecule Category

Free-form


InChI Key	DWAYUNSAAKQFJZ-UHFFFAOYSA-G
Smiles	O=P([O-])(O)O.O=P([O-])([O-])O.O=S(=O)([O-])[O-].[Cl-].[Cl-].[K+].[K+].[Mg+2].[Na+].[Na+].[Na+]
InChI	InChI=1S/2ClH.2K.Mg.3Na.2H3O4P.H2O4S/c;;;;;;;;31-5(2,3)4/h21H;;;;;;;2(H3,1,2,3,4);(H2,1,2,3,4)/q;;2+1;+2;3*+1;;;/p-7

InChI Key

DWAYUNSAAKQFJZ-UHFFFAOYSA-G

Smiles

O=P([O-])(O)O.O=P([O-])([O-])O.O=S(=O)([O-])[O-].[Cl-].[Cl-].[K+].[K+].[Mg+2].[Na+].[Na+].[Na+]

InChI

InChI=1S/2ClH.2K.Mg.3Na.2H3O4P.H2O4S/c;;;;;;;;3*1-5(2,3)4/h2*1H;;;;;;;2*(H3,1,2,3,4);(H2,1,2,3,4)/q;;2*+1;+2;3*+1;;;/p-7

Property Name	Value
Molecular Formula	H3Cl2K2MgNa3O12P2S
Molecular Weight	531.4

Property Name

Value

Molecular Formula

H3Cl2K2MgNa3O12P2S

Molecular Weight

531.4

Resources	Reference
ChEMBL	CHEMBL2104840

Resources

Reference

ChEMBL

CHEMBL2104840

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

PENTALYTE

Structure

Physicochemical Descriptors

Cross References