CHEBI:134717 - decamethoxine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name decamethoxine
ChEBI ID CHEBI:134717
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H74N2O4
Net Charge +2
Average Mass 623.007
Monoisotopic Mass 622.565
InChI InChI=1S/C38H74N2O4/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4/h29-36H,11-28H2,1-10H3/q+2
InChIKey ZADGGFKUEYIBJC-UHFFFAOYSA-N
SMILES C1(CCC(C(C1)OC(C[N+](CCCCCCCCCC[N+](CC(OC2CC(CCC2C(C)C)C)=O)(C)C)(C)C)=O)C(C)C)C
ChEBI Ontology
Outgoing decamethoxine (CHEBI:134717) is a quaternary ammonium salt (CHEBI:35273)
Synonyms Sources
decamethoxin DrugCentral
decamethoxinum DrugCentral
decametoxin DrugCentral
Manual Xref Database
4919 DrugCentral
View more database links
Registry Number Type Source
38146-42-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017