Chem
J-GLOBAL ID：200907049578143059   Nikkaji number：J11.199F

Fagaridine

ファガリジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H16[N+]O4
Molecular formula furigana： C20-H16-N-O4
Molecular weight： 334.350
InChI： InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(22)20(15)23-2)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1
InChI key： TXASKRGBMHFMPT-UHFFFAOYSA-O
SMILES： COc1c(O)ccc2c1c[n+](C)c1c3cc4OCOc4cc3ccc21
Systematic name  (3)：
  • 2-ヒドロキシ-1-メトキシ-12-メチル[1,3]ベンゾジオキソロ[5,6-c]フェナントリジン-12-イウム
  • 17-ヒドロキシ-18-メトキシ-21-メチル-5,7-ジオキサ-21-アザペンタシクロ[11.8.0.02,10.04,8.014,19]ヘンイコサ-1(13),2,4(8),9,11,14,16,18,20-ノナエン-21-イウム
  • 17-hydroxy-18-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-21-ium
Other name (3)：
  • ファガリジン
  • Fagaridine
  • 2-Hydroxy-1-methoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine-12-ium
CAS registry number： 51059-64-4
KEGG COMPOUND： C09430
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