Chem
J-GLOBAL ID：200907049942869559   Nikkaji number：J1.830.349C

Ligand of verdohaem

ベルドヘムの配位子
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： C19H13N4[O+]
Molecular formula furigana： C19-H13-N4-O
Molecular weight： 313.339
InChI： InChI=1S/C19H13N4O/c1-3-14-10-16-5-7-18(22-16)24-19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20,23H/q+1/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-
InChI key： RPUDKURPLFQUQJ-TYHWSGBQSA-N
SMILES： C1=C/C/2=C/c3ccc([nH]3)/[O+]=C\3/C=CC(=N3)/C=c\3/cc/c(=C/C1=N2)/[nH]3
Systematic name  (3)：
  • 5-オキソニア-21H,23H-ポルフィリン
  • 2λ4-オキサ-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イリウム
  • 2λ4-oxa-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-ylium
Other name (3)：
  • 5-Oxonia-21H,23H-porphyrin
  • ベルドヘムの配位子
  • Ligand of verdohaem
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