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CHEBI:31721 - Irsogladine maleate

Default Structure
ChEBI IDCHEBI:31721
ChEBI NameIrsogladine maleate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC4H4O4.C9H7Cl2N5
Net Charge0
Average Mass372.168
Monoisotopic Mass371.01881
SMILESNc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\C(=O)O
InChIInChI=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-
InChIKeyPJLVTVAIERNDEQ-BTJKTKAUSA-N
Roles Classification
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
Irsogladine maleate (CHEBI:31721) has role anti-ulcer drug (CHEBI:49201)
Irsogladine maleate (CHEBI:31721) is a dichlorobenzene (CHEBI:23697)
Synonyms  Source
2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleateKEGG COMPOUND
GaslonChEMBL
Gaslon N (TN)KEGG COMPOUND
Irsogladine maleateKEGG COMPOUND
MN-1695ChEMBL
Manual XrefsDatabases
D01658KEGG DRUG
Registry NumbersSources
CAS:84504-69-8KEGG COMPOUND