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)-

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Names

[ CAS No. ]:
126598-18-3

[ 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)-

Chemical & Physical Properties

[ 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

Toxicological Information

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

Related Compounds

  • 2-(4-Aminopiperidin-1-yl)benzoic acid dihydrochloride
  • 3-Piperazin-1-ylazepan-2-one;dihydrochloride
  • 5-Oxa-8-azaspiro[3.5]nonane-6-carboxylic acid;hydrochloride
  • 2-Amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride
  • 4-Bromo-6-pyrimidin-2-ylpyrimidine
  • 2-[4-(Dimethylamino)piperidin-1-yl]acetic acid dihydrochloride
  • 3,3-Difluoro-2,2-dimethylbutyl trifluoromethanesulfonate
  • rac-(1R,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
  • 1-[(2,4-Difluorophenyl)methyl]cyclohexan-1-amine;hydrochloride
  • [4-(Trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
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