EcoDrugPlus


Synonyms	FUT-175 Nafamostat dimethanesulfonate Nafamostat mesilate Nafamostat mesylate Ronastat
Status
Molecule Category	Salt-form
UNII	1D2T74921W

Synonyms

FUT-175

Nafamostat dimethanesulfonate

Nafamostat mesilate

Nafamostat mesylate

Ronastat

Status

Molecule Category

Salt-form

UNII

1D2T74921W


InChI Key	SRXKIZXIRHMPFW-UHFFFAOYSA-N
Smiles	CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
InChI	InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;21-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);21H3,(H,2,3,4)

InChI Key

SRXKIZXIRHMPFW-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1

InChI

InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)

Property Name	Value
Molecular Formula	C21H25N5O8S2
Molecular Weight	539.59
AlogP	2.65
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	138.07
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C21H25N5O8S2

Molecular Weight

539.59

AlogP

2.65

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

138.07

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL3989553
FDA SRS	1D2T74921W
SureChEMBL	SCHEMBL1568755

Resources

Reference

ChEMBL

CHEMBL3989553

FDA SRS

1D2T74921W

SureChEMBL

SCHEMBL1568755

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

NAFAMOSTAT MESYLATE

Structure

Physicochemical Descriptors

Cross References