CHEBI:31246 - Azasetron hydrochloride

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ChEBI Name Azasetron hydrochloride ChEBI ID CHEBI:31246 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C17H20ClN3O3.HCl C17H21Cl2N3O3 Net Charge 0 Average Mass 386.273 Monoisotopic Mass 385.09600 InChI InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H InChIKey DBMKBKPJYAHLQP-UHFFFAOYSA-N SMILES Cl.C1(NC(C=2C=3OCC(N(C3C=C(C2)Cl)C)=O)=O)CN4CCC1CC4 ChEBI Ontology Outgoing Azasetron hydrochloride (CHEBI:31246) is a benzoxazine (CHEBI:46969) Synonym Source Azasetron hydrochloride KEGG COMPOUND Manual Xref Database D01613 KEGG DRUG View more database links Registry Number Type Source 123040-16-4 CAS Registry Number KEGG COMPOUND Last Modified 06 March 2017