Chem
J-GLOBAL ID：200907056653979601   Nikkaji number：J1.668.028A

(5S)-1,3-Dioxo-2-phenyl-5β-(trimethylsilyl)-8β-hexyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid 8-phenyl-p-menthyl ester

(5S)-1,3-ジオキソ-2-フェニル-5β-(トリメチルシリル)-8β-ヘキシル-2,3,5,8-テトラヒドロ-1H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボン酸8-フェニル-p-メンチル
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： C38H53N3O4Si
Molecular formula furigana： C38-H53-N3-O4-SI
Molecular weight： 643.944
InChI： InChI=1S/C38H53N3O4Si/c1-8-9-10-15-22-30-26-31(34(46(5,6)7)41-37(44)39(36(43)40(30)41)29-20-16-12-17-21-29)35(42)45-33-25-27(2)23-24-32(33)38(3,4)28-18-13-11-14-19-28/h11-14,16-21,26-27,30,32-34H,8-10,15,22-25H2,1-7H3/t27?,30-,32?,33?,34+/m1/s1
InChI key： XERSJCRLGOFEEM-YBFADPTQSA-N
SMILES： CCCCCC[C@@H]1C=C([C@@H](n2n1c(=O)n(c1ccccc1)c2=O)[Si](C)(C)C)C(=O)OC1CC(C)CCC1C(C)(C)c1ccccc1
Systematic name  (3)：
  • (5S)-1,3-ジオキソ-2-フェニル-5β-(トリメチルシリル)-8β-ヘキシル-2,3,5,8-テトラヒドロ-1H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボン酸8-フェニル-p-メンチル
  • 5-メチル-2-(2-フェニルプロパン-2-イル)シクロヘキシル (5S,8R)-8-ヘキシル-1,3-ジオキソ-2-フェニル-5-(トリメチルシリル)-1H,2H,3H,5H,8H-[1,2,4]トリアゾロ[1,2-a]ピリダジン-6-カルボキシラート
  • 5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl (5S,8R)-8-hexyl-1,3-dioxo-2-phenyl-5-(trimethylsilyl)-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylate
Other name (1)：
  • (5S)-1,3-Dioxo-2-phenyl-5β-(trimethylsilyl)-8β-hexyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid 8-phenyl-p-menthyl ester
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