Chem
J-GLOBAL ID：200907095784521665   Nikkaji number：J291.907I

Adefovir

アデホビル
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： C8H12N5O4P
Molecular formula furigana： C8-H12-N5-O4-P
Molecular weight： 273.189
InChI： InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChI key： SUPKOOSCJHTBAH-UHFFFAOYSA-N
SMILES： Nc1ncnc2n(CCOCP(=O)(O)O)cnc12
Systematic name  (10)：
  • 2-(6-アミノ-9H-プリン-9-イル)エトキシメチルホスホン酸
  • 9-[2-(ホスホノメトキシ)エチル]-9H-プリン-6-アミン
  • [[2-(6-アミノ-9H-プリン-9-イル)エトキシ]メチル]ホスホン酸
  • 6-アミノ-9-[2-(ホスホノメトキシ)エチル]-9H-プリン
  • 9-(2-ホスホノメトキシエチル)-9H-プリン-6-アミン
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Other name (10)：
  • [2-(6-Amino-9H-purin-9-yl)ethoxy]methylphosphonic acid
  • PMEA
  • アデホビル
  • Adefovir
  • 9-(2-ホスホニルメトキシエチル)アデニン
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CAS registry number： 106941-25-7
KEGG DRUG： D02768
KEGG COMPOUND： C11277
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