CAS 41826-92-0|Trepibutone

Introduction：Basic information about CAS 41826-92-0|Trepibutone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Trepibutone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Trepibutone
CAS Number	41826-92-0	Molecular Weight	310.342
Density	1.1±0.1 g/cm3	Boiling Point	498.6±45.0 °C at 760 mmHg
Molecular Formula	C₁₆H₂₂O₆	Melting Point	146-150ºC
MSDS	/	Flash Point	179.9±22.2 °C

Names

Name	4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Synonym	More Synonyms

Trepibutone BiologicalActivity

Description	Trepibutone (AA 149) increases secretion of bile and pancreatic juice, and accelerates flaccidity of the smooth muscle in the gastrointestinal tract. Trepibutone can be used for the research of cholecystitis and functional gastrointestinal disorders[1][2].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
In Vitro	Trepibutone (1-1000 μM) markedly relaxes the sphincter of Oddi and duodenum[1].
In Vivo	Trepibutone (1-20 mg/kg; i.v. once) dose-dependently increases bile flow[2]. Trepibutone (10 mg/kg; i.v. 3 h after 14C-erythritol injection) stimulates canalicular bile formation without enhancement of water secretion and inhibition of bile reabsorption in the biliary ductules and ducts[2]. Animal Model: Anesthetized beagle dogs[2] Dosage: 1-20 mg/kg Administration: Intravenous injection; 1-20 mg/kg once Result: Dose-dependently increased the bile flow of dogs and showed the peak increases of the bile flow with a dose of 10 mg/kg . Animal Model: Beagle dogs with 14C-erythritol injection[2] Dosage: 10 mg/kg Administration: Intravenous injection; 10 mg/kg; 3 h after 14C-erythritol injection Result: Increased the bile flow associated with canalicular bile flow and stimulated canalicular bile formation.

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	498.6±45.0 °C at 760 mmHg
Melting Point	146-150ºC
Molecular Formula	C₁₆H₂₂O₆
Molecular Weight	310.342
Flash Point	179.9±22.2 °C
Exact Mass	310.141632
PSA	82.06000
LogP	3.18
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.512
InChIKey	YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES	CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UF8440000

CHEMICAL NAME :: Propionic acid, 3-(2,4,5-triethoxybenzoyl)-

CAS REGISTRY NUMBER :: 41826-92-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C16-H22-O6

MOLECULAR WEIGHT :: 310.38

WISWESSER LINE NOTATION :: QV2VR BO2 DO2 EO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 410 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 570 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1310 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 510 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 625 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9100 mg/kg/30D-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Endocrine - changes in thymus weight Blood - hemorrhage

REFERENCE :: TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 36,263,1977

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 45500 mg/kg/26W-C

TOXIC EFFECTS :: Brain and Coverings - changes in brain weight Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 36,263,1977

Safety Information

HS Code	2918990090

Customs

HS Code	2918990090
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

2,4,5-Triethoxy-g-oxobenzenebutanoic Acid

Colibil

Benzenebutanoic acid, 2,4,5-triethoxy-γ-oxo-

MFCD00865221

4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

Trepibutone

AA 149

Triethoxybenzoylpropionate

Supacal

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