Chem
J-GLOBAL ID：200907062022575177   Nikkaji number：J41.447F

Calmidazolium

カルミダゾリウム
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： C31H23Cl6N[N+]O
Molecular formula furigana： C31-H23-CL6-N2-O
Molecular weight： 652.240
InChI： InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
InChI key： CTKNMSVWMRRCPW-UHFFFAOYSA-N
SMILES： Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
Systematic name  (2)：
  • 1-[ビス(4-クロロフェニル)メチル]-3-[2-(2,4-ジクロロフェニル)-2-[(2,4-ジクロロフェニル)メトキシ]エチル]-1H-イミダゾール-3-イウム
  • 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazol-3-ium
Other name (4)：
  • カルミダゾリウム
  • Calmidazolium
  • 1-[Bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazol-3-ium
  • R-4571
CAS registry number： 95013-41-5
Application (2)：
calmodulin antagonist ,  enzyme inhibitor
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