CHEBI:4003 - Cycloguanil pamoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cycloguanil pamoate
ChEBI ID CHEBI:4003
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula 2C11H14ClN5.C23H16O6
Net Charge 0
Average Mass 891.810
Monoisotopic Mass 890.28223
InChI InChI=1S/C23H16O6.2C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,1-2H3,(H4,13,14,15,16)
InChIKey LUNRMKZYOGNOTR-UHFFFAOYSA-N
SMILES C=1(N(C(N=C(N1)N)(C)C)C=2C=CC(=CC2)Cl)N.C3=CC=CC4=C3C=C(C(=C4CC=5C6=C(C=C(C5O)C(=O)O)C=CC=C6)O)C(=O)O.C=7(N(C(N=C(N7)N)(C)C)C=8C=CC(=CC8)Cl)N
ChEBI Ontology
Outgoing Cycloguanil pamoate (CHEBI:4003) is a polymer (CHEBI:60027)
Synonym Source
Cycloguanil pamoate KEGG COMPOUND
Manual Xrefs Databases
C11724 KEGG COMPOUND
D02387 KEGG DRUG
View more database links
Registry Number Type Source
609-78-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014