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J-GLOBAL ID：200907023209022265   Nikkaji number：J3.190I

Cimetidine

シメチジン
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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： C10H16N6S
Molecular formula furigana： C10-H16-N6-S
Molecular weight： 252.340
InChI： InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChI key： AQIXAKUUQRKLND-UHFFFAOYSA-N
SMILES： CNC(=NC#N)NCCSCc1nc[nH]c1C
Systematic name  (11)：
  • 1-[2-[(5-メチル-1H-イミダゾール-4-イル)メチルチオ]エチル]-3-メチル-2-シアノグアニジン
  • 1-メチル-2-シアノ-3-[2-[[(4-メチル-1H-イミダゾール-5-イル)メチル]チオ]エチル]グアニジン
  • N-シアノ-N′-メチル-N′′-[2-[[(5-メチル-1H-イミダゾール-4-イル)メチル]チオ]エチル]グアニジン
  • 1-シアノ-3-メチル-2-[2-[[(5-メチル-1H-イミダゾール-4-イル)メチル]チオ]エチル]グアニジン
  • 2-シアノ-1-メチル-3-[2-[(5-メチル-1H-イミダゾール-4-イル)メチルチオ]エチル]グアニジン
Show all
Other name (91)：
  • シメチジン
  • Cimetidine
  • 2-Cyano-1-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine
  • オイレセプター
  • ウルシメト
Show all
CAS registry number： 51481-61-9
Regulation number (3)：
  • 8-(2)-1154
  • MF0035500
  • EINECS2572322
KEGG DRUG： D00295
Application (1)：
histamineH2-receptorblocker
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