IRSOGLADINE MALEATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 66GVU60EPQ

Structure
InChI Key PJLVTVAIERNDEQ-BTJKTKAUSA-N
Smile 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-

Physicochemical Descriptors

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastritis 1 D005756 ClinicalTrials
Stomach Ulcer 1 D013276 ClinicalTrials
Peptic Ulcer 1 D010437 ClinicalTrials

Cross References

Resources Reference
ChEBI 31721
ChEMBL CHEMBL1712923
EPA CompTox DTXSID2040234
FDA SRS 66GVU60EPQ
PubChem 5282435
SureChEMBL SCHEMBL440934
CONTENTS