EcoDrugPlus


Synonyms	Gaslon Irsogladine maleate MN-1695
Status
Molecule Category	Mixture
UNII	66GVU60EPQ
EPA CompTox	DTXSID2040234

Synonyms

Gaslon

Irsogladine maleate

MN-1695

Status

Molecule Category

Mixture

UNII

66GVU60EPQ

EPA CompTox

DTXSID2040234


InChI Key	PJLVTVAIERNDEQ-BTJKTKAUSA-N
Smiles	Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\C(=O)O
InChI	InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChI Key

PJLVTVAIERNDEQ-BTJKTKAUSA-N

Smiles

Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\C(=O)O

InChI

InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

Property Name	Value
Molecular Formula	C13H11Cl2N5O4
Molecular Weight	372.17
AlogP	2.01
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	90.71
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H11Cl2N5O4

Molecular Weight

372.17

AlogP

2.01

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

90.71

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	84504-69-8
ChEBI	31721
ChEMBL	CHEMBL1712923
FDA SRS	66GVU60EPQ
PubChem	5282435
SureChEMBL	SCHEMBL440934

Resources

Reference

CAS NUMBER

ChEBI

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

IRSOGLADINE MALEATE

Structure

Physicochemical Descriptors

Cross References