CHEBI:79977 - CV 2961

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CV 2961
ChEBI ID CHEBI:79977
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H17ClN3NaO4
Net Charge 0
Average Mass 373.76700
Monoisotopic Mass 373.08053
InChI InChI=1S/C16H18ClN3O4.Na/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24;/h4-7H,2-3,8-10H2,1H3,(H,21,22);/q;+1/p-1
InChIKey IOLLRZYQFFZPKF-UHFFFAOYSA-M
SMILES [Na+].CCCCc1nc(Cl)c(CC([O-])=O)n1Cc1ccccc1[N+]([O-])=O
ChEBI Ontology
Outgoing CV 2961 (CHEBI:79977) is a organic molecular entity (CHEBI:50860)
Synonym Source
S 8308 KEGG COMPOUND
Manual Xref Database
C15551 KEGG COMPOUND
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Registry Number Type Source
119256-78-9 CAS Registry Number KEGG COMPOUND