EcoDrugPlus


Synonyms	EI-546 Elaspol LY-544349 SODIUM HYDRATE LY544349 SODIUM HYDRATE ONO-5046 SODIUM HYDRATE ONO-5046.NA Sivelestat sodium Sivelestat sodium hydrate Sivelestat sodium salt tetrahydrate Sivelestat sodium tetrahydrate
Status
Molecule Category	Salt-form
UNII	737RR8Y409
EPA CompTox	DTXSID0046727

Synonyms

EI-546

Elaspol

LY-544349 SODIUM HYDRATE

LY544349 SODIUM HYDRATE

ONO-5046 SODIUM HYDRATE

ONO-5046.NA

Sivelestat sodium

Sivelestat sodium hydrate

Sivelestat sodium salt tetrahydrate

Sivelestat sodium tetrahydrate

Status

Molecule Category

Salt-form

UNII

737RR8Y409

EPA CompTox

DTXSID0046727


InChI Key	PLHREJBSQUSUCW-UHFFFAOYSA-M
Smiles	CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]
InChI	InChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1

InChI Key

PLHREJBSQUSUCW-UHFFFAOYSA-M

Smiles

CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]

InChI

InChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1

Property Name	Value
Molecular Formula	C20H29N2NaO11S
Molecular Weight	528.51
AlogP	2.25
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	138.87
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H29N2NaO11S

Molecular Weight

528.51

AlogP

2.25

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

138.87

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

30.0

Resources	Reference
ChEBI	32133
ChEMBL	CHEMBL3182314
FDA SRS	737RR8Y409
SureChEMBL	SCHEMBL7107254

Resources

Reference

ChEBI

ChEMBL

FDA SRS

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...

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Last update: Monday, 3 November 2025

SIVELESTAT SODIUM

Structure

Physicochemical Descriptors

Cross References