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Substance Name: Penflutizide [INN:JAN]
RN: 1766-91-2
UNII: 91NGD0O6FZ
InChIKey: AKHXXQAIVSMYIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-F3-N3-O4-S2

Molecular Weight

  • 401.428
 
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Names and Synonyms

Name of Substance

  • Penflutizide [INN:JAN]
  • Penfluzide

Synonyms

  • BRN 0769946
  • EINECS 217-186-6
  • FT 124
  • Penflutizida
  • Penflutizida [INN-Spanish]
  • Penflutizide
  • Penflutizidum
  • Penflutizidum [INN-Latin]
  • Penfluzide
  • Pentylhydroflumethiazide
  • UNII-91NGD0O6FZ

Systematic Names

  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-pentyl-6-(trifluoromethyl)-, 1,1-dioxide
  • 3,4-Dihydro-3-pentyl-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • Penflutizide

Registry Numbers

CAS Registry Number

  • 1766-91-2

FDA UNII

  • 91NGD0O6FZ

System Generated Number

  • 0001766912

Structure Descriptors

InChI

1S/C13H18F3N3O4S2/c1-2-3-4-5-12-18-9-6-8(13(14,15)16)10(24(17,20)21)7-11(9)25(22,23)19-12/h6-7,12,18-19H,2-5H2,1H3,(H2,17,20,21)

InChIKey

AKHXXQAIVSMYIS-UHFFFAOYSA-N

Smiles

c1(c(cc2N[C@@H](CCCCC)NS(=O)(c2c1)=O)C(F)(F)F)S(=O)(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.
mouse LD50 oral > 20gm/kg (20000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.
mouse LD50 subcutaneous > 7500mg/kg (7500mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.
rat LD50 oral > 50gm/kg (50000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.
rat LD50 subcutaneous > 20gm/kg (20000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.66 (none)   EXP
Water Solubility 1.430 mg/L 25 EST
Vapor Pressure 8.09E-11 mm Hg 25 EST
Henry's Law Constant 2.12E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.12E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.