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CHEBI:135586 - domitroban

ChEBI IDCHEBI:135586
ChEBI Namedomitroban
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H27NO4S
Net Charge0
Average Mass377.506
Monoisotopic Mass377.16608
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
InChIKeyPWTCIBWRMQFJBC-ZEMKZVSASA-N
ChEBI Ontology
Outgoing Relation(s)
domitroban (CHEBI:135586) is a monoterpenoid (CHEBI:25409)
Synonyms  Source
domitroban calcium hydrateDrugCentral
domitroban calciumDrugCentral
Manual XrefsDatabases
3165DrugCentral
Registry NumbersSources
CAS:112966-96-8DrugCentral