Chem
J-GLOBAL ID：201207052094243322   Nikkaji number：J3.006.756H

Fimasartan

フィマサルタン
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： C27H31N7OS
Molecular formula furigana： C27-H31-N7-O-S
Molecular weight： 501.650
InChI： InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
InChI key： AMEROGPZOLAFBN-UHFFFAOYSA-N
SMILES： CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1
Systematic name  (3)：
  • 2-ブチル-5-[(ジメチルチオカルバモイル)メチル]-6-メチル-3-[2′-(1H-テトラゾール-5-イル)-4-ビフェニリルメチル]ピリミジン-4(3H)-オン
  • 2-(2-ブチル-4-メチル-6-オキソ-1-{[2'-(1H-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}-1,6-ジヒドロピリミジン-5-イル)-N,N-ジメチルエタンチオアミド
  • 2-(2-butyl-4-methyl-6-oxo-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide
Other name (3)：
  • 2-Butyl-5-[(dimethylthiocarbamoyl)methyl]-6-methyl-3-[2′-(1H-tetrazole-5-yl)-4-biphenylylmethyl]pyrimidine-4(3H)-one
  • Fimasartan
  • フィマサルタン
CAS registry number： 247257-48-3
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