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CHEBI:177425 - Patidegib

ChEBI IDCHEBI:177425
ChEBI NamePatidegib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48N2O3S
Net Charge0
Average Mass504.781
Monoisotopic Mass504.33856
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC4=C(C)C[C@]5(CC[C@]43[H])O[C@]3([H])C[C@H](C)CN[C@@]3([H])[C@H]5C)[C@@]1(C)CC[C@@H](NS(C)(=O)=O)C2
InChIInChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
InChIKeyHZLFFNCLTRVYJG-WWGOJCOQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Patidegib (CHEBI:177425) is a piperidines (CHEBI:26151)
IUPAC Name 
N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-3-yl]methanesulonamide
Manual XrefsDatabases
DB12655DrugBank
D10324KEGG DRUG
24611265ChemSpider
Registry NumbersSources
CAS:1037210-93-7ChemIDplus