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CHEBI:750177 - denufosol tetrasodium

Default Structure
ChEBI IDCHEBI:750177
ChEBI Namedenufosol tetrasodium
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaNa.C18H23N5O21P4.Na.Na.Na
Net Charge0
Average Mass861.252
Monoisotopic Mass860.94268
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H27N5O21P4.4Na/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29;;;;/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29);;;;/q;4*+1/p-4/t8-,9+,10+,13+,14+,15+,16+;;;;/m0..../s1
InChIKeyPASYJVRFGUDDEW-WMUGRWSXSA-J
Roles Classification
Applications:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
denufosol tetrasodium (CHEBI:750177) has role anti-allergic agent (CHEBI:50857)
denufosol tetrasodium (CHEBI:750177) has role ophthalmology drug (CHEBI:66981)
denufosol tetrasodium (CHEBI:750177) is a pyrimidine ribonucleotide (CHEBI:26446)
Synonyms  Source
Denufosol tetrasodiumChEMBL
Denufosol tetrasodium saltChEMBL
INS-37217ChEMBL
INS37217ChEMBL
Citations