CHEBI:31736 - Israpafant

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Israpafant
ChEBI ID CHEBI:31736
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C28H29ClN4S
C28H29ClN4S
Net Charge 0
Average Mass 489.077
Monoisotopic Mass 488.18015
InChI InChI=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
InChIKey RMSWMRJVUJSDGN-GOSISDBHSA-N
SMILES C1(=N[C@@H](C=2N(C3=C1C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=NN2)C)C)C=5C(Cl)=CC=CC5
ChEBI Ontology
Outgoing Israpafant (CHEBI:31736) is a organonitrogen heterocyclic compound (CHEBI:38101)
Israpafant (CHEBI:31736) is a organosulfur heterocyclic compound (CHEBI:38106)
Synonyms Sources
Israpafant KEGG COMPOUND
Y24180 KEGG COMPOUND
Manual Xref Database
D02590 KEGG DRUG
View more database links
Registry Number Type Source
117279-73-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017