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CHEBI:752884 - delparantag pentahydrochloride

Default Structure
ChEBI IDCHEBI:752884
ChEBI Namedelparantag pentahydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C56H79N13O12.HCl.HCl.HCl.HCl
Net Charge0
Average Mass1308.632
Monoisotopic Mass1305.48050
SMILESCOc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCN)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C56H79N13O12.5ClH/c1-78-45-21-17-33(29-37(45)49(62)70)64-54(75)42(14-6-10-26-58)67-51(72)39-31-35(19-23-47(39)80-3)66-56(77)44(16-8-12-28-60)69-52(73)40-32-36(20-24-48(40)81-4)65-55(76)43(15-7-11-27-59)68-50(71)38-30-34(18-22-46(38)79-2)63-53(74)41(61)13-5-9-25-57;;;;;/h17-24,29-32,41-44H,5-16,25-28,57-61H2,1-4H3,(H2,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,71)(H,69,73);5*1H/t41-,42-,43-,44-;;;;;/m0...../s1
InChIKeyUTMBEAYHQCZLHT-OEGPGOKOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
delparantag pentahydrochloride (CHEBI:752884) is a amidobenzoic acid (CHEBI:48470)
Synonyms  Source
Delparantag pentahydrochlorideChEMBL
PMX60056ChEMBL
PMX-60056 PENTAHYDROCHLORIDEChEMBL
Brand Name  Source
Pmx60056, pmx-60056, pmx 60056ChEMBL