EcoDrugPlus


Synonyms	Elpida Elsulfavirine sodium R-1206 SODIUM R1206(SODIUM SALT)
Status
Molecule Category	Salt-form
UNII	HKK2U3V1DT

Synonyms

Elpida

Elsulfavirine sodium

R-1206 SODIUM

R1206(SODIUM SALT)

Status

Molecule Category

Salt-form

UNII

HKK2U3V1DT


InChI Key	UJFARQSHFFWJHD-UHFFFAOYSA-M
Smiles	CCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1.[Na+]
InChI	InChI=1S/C24H17BrCl2FN3O5S.Na/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16;/h3-8,10-11H,2,9H2,1H3,(H2,30,31,32,33);/q;+1/p-1

InChI Key

UJFARQSHFFWJHD-UHFFFAOYSA-M

Smiles

CCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1.[Na+]

InChI

InChI=1S/C24H17BrCl2FN3O5S.Na/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16;/h3-8,10-11H,2,9H2,1H3,(H2,30,31,32,33);/q;+1/p-1

Property Name	Value
Molecular Formula	C24H16BrCl2FN3NaO5S
Molecular Weight	651.27
AlogP	5.96
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	125.36
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C24H16BrCl2FN3NaO5S

Molecular Weight

651.27

AlogP

5.96

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

125.36

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

37.0

Resources	Reference
ChEMBL	CHEMBL4297377
FDA SRS	HKK2U3V1DT
PubChem	46175184

Resources

Reference

ChEMBL

CHEMBL4297377

FDA SRS

HKK2U3V1DT

PubChem

46175184

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

ELSULFAVIRINE SODIUM

Structure

Physicochemical Descriptors

Cross References