CHEBI:135857 - bemotrizinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bemotrizinol
ChEBI ID CHEBI:135857
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H49N3O5
Net Charge 0
Average Mass 627.814
Monoisotopic Mass 627.36722
InChI InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
InChIKey XVAMCHGMPYWHNL-UHFFFAOYSA-N
SMILES OC1=C(C=2N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=C(O)C=C(C=C4)OCC(CCCC)CC)C=CC(=C1)OCC(CCCC)CC
ChEBI Ontology
Outgoing bemotrizinol (CHEBI:135857) is a methoxybenzenes (CHEBI:51683)
Synonym Source
Tinosorb S DrugCentral
Manual Xref Database
3014 DrugCentral
View more database links
Registry Number Type Source
187393-00-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017