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CHEBI:750178 - diquafosol tetrasodium

Default Structure
ChEBI IDCHEBI:750178
ChEBI Namediquafosol tetrasodium
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaNa.C18H22N4O23P4.Na.Na.Na
Net Charge0
Average Mass878.235
Monoisotopic Mass877.92161
SMILESO=c1ccn([C@@H]2O[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)[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1
InChIKeyOWTGMPPCCUSXIP-FNXFGIETSA-J
Roles Classification
Application:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
ChEBI Ontology
Outgoing Relation(s)
diquafosol tetrasodium (CHEBI:750178) has role ophthalmology drug (CHEBI:66981)
diquafosol tetrasodium (CHEBI:750178) is a pyrimidine ribonucleotide (CHEBI:26446)
Synonyms  Source
DE-089ChEMBL
Diquafosol tetrasodium saltChEMBL
INS 365ChEMBL
KPY-998ChEMBL
Citations