EcoDrugPlus


Synonyms	Durlobactam sodium ETX-2514 ETX-2514 SODIUM ETX2514 ETX2514 sodium Etx2514
Status
Molecule Category	Salt-form
UNII	F78MDZ9CW9

Synonyms

Durlobactam sodium

ETX-2514

ETX-2514 SODIUM

ETX2514

ETX2514 sodium

Etx2514

Status

Molecule Category

Salt-form

UNII

F78MDZ9CW9


InChI Key	WHHNOICWPZIYKI-IBTYICNHSA-M
Smiles	CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]
InChI	InChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1

InChI Key

WHHNOICWPZIYKI-IBTYICNHSA-M

Smiles

CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]

InChI

InChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1

Property Name	Value
Molecular Formula	C8H10N3NaO6S
Molecular Weight	299.24
AlogP	-1.36
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	130.24
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C8H10N3NaO6S

Molecular Weight

299.24

AlogP

-1.36

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

130.24

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

18.0

Resources	Reference
ChEMBL	CHEMBL4297378
FDA SRS	F78MDZ9CW9
PubChem	89851851
SureChEMBL	SCHEMBL15319569

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...

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Last update: Monday, 3 November 2025

DURLOBACTAM SODIUM

Structure

Physicochemical Descriptors

Cross References