Chem
J-GLOBAL ID：201007004807691550   Nikkaji number：J2.841.498F

[1-Hydroxy-2-(1-methylpyridinium-3-yl)ethylidene]bisphosphonic acid

3-(2-ヒドロキシ-2,2-ジホスホノエチル)-1-メチルピリジン-1-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： C8H14[N+]O7P2
Molecular formula furigana： C8-H14-N-O7-P2
Molecular weight： 298.147
InChI： InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1
InChI key： BBNRLGQPSIXFHZ-UHFFFAOYSA-O
SMILES： C[n+]1cccc(CC(O)(P(=O)(O)O)P(=O)(O)O)c1
Systematic name  (3)：
  • [1-ヒドロキシ-2-(1-メチルピリジニウム-3-イル)エチリデン]ビスホスホン酸
  • 3-(2-ヒドロキシ-2,2-ジホスホノエチル)-1-メチルピリジン-1-イウム
  • 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium
Other name (1)：
  • [1-Hydroxy-2-(1-methylpyridinium-3-yl)ethylidene]bisphosphonic acid
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