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CHEBI:32093 - Rescimetol

Default Structure
ChEBI IDCHEBI:32093
ChEBI NameRescimetol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC33H38N2O8
Net Charge0
Average Mass590.673
Monoisotopic Mass590.26282
SMILES[H][C@]12C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@]1([H])c3nc4cc(OC)ccc4c3CCN1C2
InChIInChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1
InChIKeyMMUMZMIKZXSFSD-ADSVITMPSA-N
ChEBI Ontology
Outgoing Relation(s)
Rescimetol (CHEBI:32093) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
RescimetolKEGG COMPOUND
toscarnaDrugCentral
Manual XrefsDatabases
3825DrugCentral
D01894KEGG DRUG
Registry NumbersSources
CAS:73573-42-9KEGG COMPOUND