Chem
J-GLOBAL ID:201407010224834646   Nikkaji number:J3.254.020A

RG-7112

4-[3-(メチルスルホニル)プロピル]-1-ピペラジニル[2-(2-エトキシ-4-tert-ブチルフェニル)-4,5-ビス(4-クロロフェニル)-4α,5α-ジメチル-4,5-ジヒドロ-1H-イミダゾール-1-イル]メタノン
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: C38H48Cl2N4O4S
Molecular formula furigana: C38-H48-CL2-N4-O4-S
Molecular weight: 727.790
InChI: InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1
InChI key: QBGKPEROWUKSBK-QPPIDDCLSA-N
SMILES: CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(=O)(=O)C)CC1)c1ccc(Cl)cc1)C(C)(C)C
Systematic name  (4):
  • [(4S,5R)-2-(2-エトキシ-4-tert-ブチルフェニル)-4β,5β-ビス(4-クロロフェニル)-4,5-ジメチル-4,5-ジヒドロ-1H-イミダゾール-1-イル]4-[3-(メチルスルホニル)プロピル]-1-ピペラジニルメタノン
  • 4-[3-(メチルスルホニル)プロピル]-1-ピペラジニル[2-(2-エトキシ-4-tert-ブチルフェニル)-4,5-ビス(4-クロロフェニル)-4α,5α-ジメチル-4,5-ジヒドロ-1H-イミダゾール-1-イル]メタノン
  • 1-[(4S,5R)-2-(4-tert-ブチル-2-エトキシフェニル)-4,5-ビス(4-クロロフェニル)-4,5-ジメチル-4,5-ジヒドロ-1H-イミダゾール-1-カルボニル]-4-(3-メタンスルホニルプロピル)ピペラジン
  • 1-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl]-4-(3-methanesulfonylpropyl)piperazine
Other name (3):
  • [(4S,5R)-2-(2-Ethoxy-4-tert-butylphenyl)-4β,5β-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-yl]4-[3-(methylsulfonyl)propyl]-1-piperazinylmethanone
  • RG-7112
  • 4-[3-(Methylsulfonyl)propyl]-1-piperazinyl[2-(2-ethoxy-4-tert-butylphenyl)-4,5-bis(4-chlorophenyl)-4α,5α-dimethyl-4,5-dihydro-1H-imidazole-1-yl]methanone
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