CHEBI:135586 - domitroban

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name domitroban
ChEBI ID CHEBI:135586
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H27NO4S
Net Charge 0
Average Mass 377.500
Monoisotopic Mass 377.16608
InChI InChI=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
InChIKey PWTCIBWRMQFJBC-ZEMKZVSASA-N
SMILES N(S(=O)(=O)C1=CC=CC=C1)[C@@H]2[C@@H](C/C=C\CCCC(O)=O)[C@H]3C[C@@H]2CC3
ChEBI Ontology
Outgoing domitroban (CHEBI:135586) is a monoterpenoid (CHEBI:25409)
Synonyms Sources
domitroban calcium DrugCentral
domitroban calcium hydrate DrugCentral
Manual Xref Database
3165 DrugCentral
View more database links
Registry Number Type Source
112966-96-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017