CHEBI:134742 - delamanid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name delamanid
ChEBI ID CHEBI:134742
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H25F3N4O6
Net Charge 0
Average Mass 534.485
Monoisotopic Mass 534.17262
InChI InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1
InChIKey XDAOLTSRNUSPPH-XMMPIXPASA-N
SMILES C(OC1=CC=C(N2CCC(OC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1)[C@@]4(C)CN5C(=NC([N+]([O-])=O)=C5)O4
ChEBI Ontology
Outgoing delamanid (CHEBI:134742) is a piperidines (CHEBI:26151)
Synonyms Sources
deltyba DrugCentral
OPC-67683 DrugCentral
Manual Xref Database
4819 DrugCentral
View more database links
Registry Number Type Source
681492-22-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017