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CHEBI:32005 - Pipemidic acid trihydrate

ChEBI IDCHEBI:32005
ChEBI NamePipemidic acid trihydrate
Stars
Last Modified6 March 2017
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FormulaC14H17N5O3.3H2O
Net Charge0
Average Mass357.367
Monoisotopic Mass357.16483
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.O.O.O
InChIInChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2
InChIKeyURMXYPLWYMOYPG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pipemidic acid trihydrate (CHEBI:32005) is a N-arylpiperazine (CHEBI:46848)
Synonym  Source
Pipemidic acid trihydrateKEGG COMPOUND
Manual XrefsDatabases
D01531KEGG DRUG
Registry NumbersSources
CAS:72571-82-5KEGG COMPOUND