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CHEBI:31736 - Israpafant

ChEBI IDCHEBI:31736
ChEBI NameIsrapafant
Stars
Last Modified6 March 2017
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FormulaC28H29ClN4S
Net Charge0
Average Mass489.088
Monoisotopic Mass488.18015
SMILESCc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=N[C@@H]2C
InChIInChI=1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3/t18-/m1/s1
InChIKeyRMSWMRJVUJSDGN-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
Israpafant (CHEBI:31736) is a organonitrogen heterocyclic compound (CHEBI:38101)
Israpafant (CHEBI:31736) is a organosulfur heterocyclic compound (CHEBI:38106)
Synonyms  Source
IsrapafantKEGG COMPOUND
Y24180KEGG COMPOUND
Manual XrefsDatabases
D02590KEGG DRUG
Registry NumbersSources
CAS:117279-73-9KEGG COMPOUND