7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimet hoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)-

Modify Date: 2025-08-26 12:03:23

7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimet hoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)- structure	Common Name	7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimet hoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)-
	CAS Number	126598-18-3	Molecular Weight	472.48900
	Density	1.44g/cm3	Boiling Point	689.8ºC at 760 mmHg
	Molecular Formula	C₂₂H₂₁FN₄O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	371ºC

Name	2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

Density	1.44g/cm3
Boiling Point	689.8ºC at 760 mmHg
Molecular Formula	C₂₂H₂₁FN₄O₅S
Molecular Weight	472.48900
Flash Point	371ºC
Exact Mass	472.12200
PSA	133.36000
LogP	3.13710
Vapour Pressure	5.62E-20mmHg at 25°C
Index of Refraction	1.656
InChIKey	UOASRQZPZAQSRU-UHFFFAOYSA-N
SMILES	CCOc1c(OC)cc(-c2nnc3n2N=C(c2ccc(F)cc2)C(CC(=O)O)S3)cc1OC

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ6158222

CHEMICAL NAME :: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimethoxyphenyl- 4-ethoxyphenyl)-6-(4-fluorophenyl)-

CAS REGISTRY NUMBER :: 126598-18-3

LAST UPDATED :: 199206

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C22-H21-F-N4-O5-S

MOLECULAR WEIGHT :: 472.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 44,933,1989

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 44,933,1989

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