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CHEBI:177544 - Dasolampanel

ChEBI IDCHEBI:177544
ChEBI NameDasolampanel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20ClN5O3
Net Charge0
Average Mass377.832
Monoisotopic Mass377.12547
SMILES[H][C@@]12CC[C@H](Oc3cccc(Cl)c3-c3nnnn3)C[C@]1([H])C[C@@H](C(=O)O)NC2
InChIInChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1
InChIKeyLAKQPSQCICNZII-NOHGZBONSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Dasolampanel (CHEBI:177544) is a tetrazoles (CHEBI:35689)
IUPAC Name 
(3S,4aS,6S,8aR)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Manual XrefsDatabases
D10107KEGG DRUG
SXIPDBeChem
25948207ChemSpider
Registry NumbersSources
CAS:503294-13-1ChemIDplus