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CAS No 41826-92-0 , 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid Search by region : China

  • Name: 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
  • Synonyms: Triethoxybenzoylpropionate; AA 149;4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid; Trepibuton [INN-Spanish]; Colibil;trepibutone; Supacal; Trepibutonum [INN-Latin];
  • CAS Registry Number:
  • Melting Point: 146-150ºC
  • Density: 1.148 g/cm3
  • Refractive index: 1.511
  • Safety Statements: Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid fumes and smoke.
  • Molecular Weight: 310.34228
  • InchiKey: YPTFHLJNWSJXKG-UHFFFAOYSA-N
  • InChI: InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16
    (18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
  • Molecular Formula: C16H22O6
  • Molecular Structure:CAS No:41826-92-0 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

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References of 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Title: Trepibutone
CAS Registry Number: 41826-92-0
CAS Name: 2,4,5-Triethoxy-g-oxobenzenebutanoic acid
Synonyms: 3-(2,4,5-triethoxybenzoyl)propionic acid
Manufacturers' Codes: AA-149
Trademarks: Supacal (Lederle)
Molecular Formula: C16H22O6
Molecular Weight: 310.34
Percent Composition: C 61.92%, H 7.15%, O 30.93%
Literature References: Prepn: T. Murata et al., DE 2244324 corresp to US 3943169 (1973, 1976 both to Takeda). Properties and stabilities: M. Mitani et al., Takeda Kenkyushoho 36, 206 (1977), C.A. 88, 126284f (1978). Pharmacokinetics: eidem, ibid. 215, C.A. 88, 115067m (1978). Biotransformation: T. Kobayashi et al., Xenobiotica 8, 535 (1978). Metabolism studies: S. Tanayama et al., ibid. 365, 377. Spasmolytic action in dogs: H. Satoh et al., Eur. J. Pharmacol. 48, 309 (1978). Mechanism of choleretic action: eidem, ibid. 125. Toxicity studies: S. Sato et al., Takeda Kenkyushoho 36, 263 (1977), C.A. 88, 11535x (1978).
Properties: Colorless needles from aq ethanol or plates from aq acetone, mp 150-151°. Stable to heat, humidity, indoor diffused sunlight. Aq solns heated to 100° for 10 hr showed no degradation.
Melting point: mp 150-151°
Therap-Cat: Choleretic; antispasmodic.
Keywords: Antispasmodic; Choleretic.