CHEBI:52195 - oxazine-170

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxazine-170
ChEBI ID CHEBI:52195
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H24ClN3O5
Net Charge 0
Average Mass 445.89600
Monoisotopic Mass 445.14045
InChI InChI=1S/C22H24N3O.ClHO4/c1-5-23-17-12-21-22(16-10-8-7-9-15(16)17)24-18-11-14(3)19(25(4)6-2)13-20(18)26-21;2-1(3,4)5/h7-13,23H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey GHTWDWCFRFTBRB-UHFFFAOYSA-M
SMILES [O-]Cl(=O)(=O)=O.CCNc1cc2[o+]c3cc(N(C)CC)c(C)cc3nc2c2ccccc12
ChEBI Ontology
Outgoing oxazine-170 (CHEBI:52195) has part oxazine-170(1+) (CHEBI:52878)
oxazine-170 (CHEBI:52195) is a organic heterotetracyclic compound (CHEBI:38163)
oxazine-170 (CHEBI:52195) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name
5-(ethylamino)-9-[ethyl(methyl)amino]-10-methylbenzo[a]phenoxazin-7-ium perchlorate
Synonyms Sources
Benzo(a)phenoxazin-7-ium, 5,9-bis(ethylamino)-10-methyl-,perchlorate (1:1) ChemIDplus
Oxazine 170 perchlorate ChEBI
Registry Number Type Source
62669-60-7 CAS Registry Number ChemIDplus
Last Modified
30 July 2009