CHEBI:93632 - 4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid
ChEBI ID CHEBI:93632
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H18N3O3
Net Charge +1
Average Mass 288.322
Monoisotopic Mass 288.13427
InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1
InChIKey ACVGNKYJVGNLIL-UHFFFAOYSA-O
SMILES COC1=CC=C(C=C1)C2=N[N+](=C(C=C2)N)CCCC(=O)O
ChEBI Ontology
Outgoing 4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid (CHEBI:93632) is a pyridazines (CHEBI:37921)
4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoic acid (CHEBI:93632) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-4098 LINCS
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