[[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid ethyl ester

Modify Date: 2025-08-26 17:02:13

[[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid ethyl ester structure	Common Name	[[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid ethyl ester
	CAS Number	34580-65-9	Molecular Weight	365.30700
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₇H₁₄F₃N₃O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	ethyl 2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyacetate
Synonym	More Synonyms

Molecular Formula	C₁₇H₁₄F₃N₃O₃
Molecular Weight	365.30700
Exact Mass	365.09900
PSA	66.24000
LogP	3.38120
InChIKey	JGHXHFHJVYSBOU-UHFFFAOYSA-N
SMILES	CCOC(=O)COc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK0403000

CHEMICAL NAME :: Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo (3,4-b)pyridin-3-yl)o xy)-, ethyl ester

CAS REGISTRY NUMBER :: 34580-65-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C17-H14-F3-N3-O3

MOLECULAR WEIGHT :: 365.34

WISWESSER LINE NOTATION :: T56 BNN INJ BR CXFFF& DO1VO2

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 :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 810 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 111,167,1972

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