Chem
J-GLOBAL ID:200907050584868993   Nikkaji number:J413.136C

3,5-Diamino-6-(2,3-dichlorophenyl)-2-(5β-carboxylato-β-D-xylopyranosyl)-1,2,4-triazin-2-ium

3,5-ジアミノ-6-(2,3-ジクロロフェニル)-2-(5β-カルボキシラト-β-D-キシロピラノシル)-1,2,4-トリアジン-2-イウム
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: C15H15Cl2N4[N+]O5[O-]
Molecular formula furigana: C15-H15-CL2-N5-O6
Molecular weight: 432.210
InChI: InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/t8-,9-,10+,11-,13+/m0/s1
InChI key: IEVMENHZPOWVGO-XPORZQOISA-N
SMILES: Nc1nc(N)[n+](nc1c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-]
Systematic name  (3):
  • 3,5-ジアミノ-6-(2,3-ジクロロフェニル)-2-(5β-カルボキシラト-β-D-キシロピラノシル)-1,2,4-トリアジン-2-イウム
  • 3,5-ジアミノ-2-[(2R,3R,4S,5S,6S)-6-カルボキシラト-3,4,5-トリヒドロキシオキサン-2-イル]-6-(2,3-ジクロロフェニル)-1,2λ5,4-トリアジン-2-イリウム
  • 3,5-diamino-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]-6-(2,3-dichlorophenyl)-1,2λ5,4-triazin-2-ylium
Other name (1):
  • 3,5-Diamino-6-(2,3-dichlorophenyl)-2-(5β-carboxylato-β-D-xylopyranosyl)-1,2,4-triazin-2-ium
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