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Substance Name: Clorexolone [USAN:INN:BAN]
RN: 2127-01-7
UNII: Q2PLT3FS05
InChIKey: VPMWFZKOWULPGT-UHFFFAOYSA-N

Classification Codes

  • Diuretic
  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-Cl-N2-O3-S

Molecular Weight

  • 328.8183
 
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Names and Synonyms

Name of Substance

  • Clorexolone
  • Clorexolone [USAN:INN:BAN]

Synonyms

  • 12833 R.P.
  • 1H-Isoindole-5-sulfonamide, 2,3-dihydro-6-chloro-2-cyclohexyl-3-oxo-
  • 5-22-07-00591 (Beilstein Handbook Reference)
  • 5-Chloro-2-cyclohexyl-1-oxo-6-sulphamoylisoindoline
  • 6-Chloro-2-cyclohexyl-3-oxo-5-isoindolinesulfonamide
  • BRN 0493411
  • Chlorexolone
  • Cloresolone
  • Cloresolone [DCIT]
  • Clorexolon
  • Clorexolona
  • Clorexolona [INN-Spanish]
  • Clorexolone
  • Clorexolonum
  • Clorexolonum [INN-Latin]
  • EINECS 218-342-6
  • Flonatril
  • Klorex
  • M & B 8430
  • Nefrolan
  • RP 12833
  • UNII-Q2PLT3FS05

Systematic Names

  • 1H-Isoindole-5-sulfonamide, 6-chloro-2-cyclohexyl-2,3-dihydro-3-oxo-
  • 5-Isoindolinesulfonamide, 6-chloro-2-cyclohexyl-3-oxo-
  • 6-Chloro-2-cyclohexyl-2,3-dihydro-3-oxo-1H-isoindole-5-sulfonamide
  • Clorexolone

Registry Numbers

CAS Registry Number

  • 2127-01-7

FDA UNII

  • Q2PLT3FS05

System Generated Number

  • 0002127017

Structure Descriptors

InChI

InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)

InChIKey

VPMWFZKOWULPGT-UHFFFAOYSA-N

Smiles

NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg) BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Bulletin of the Faculty of Pharmacy Vol. 10, Pg. 155, 1971.
mouse LD50 intravenous 230mg/kg (230mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 65, 1966.
mouse LD50 oral > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. 6, Pg. 257, 1982.
rat LD50 intravenous 120mg/kg (120mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 65, 1966.
rat LD50 oral 6gm/kg (6000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 775, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 267 deg C   EXP
log P (octanol-water) 1.960 (none)   EST
Water Solubility 16 mg/L 25 EXP
Atmospheric OH Rate Constant 3.72E-11 cm3/molecule-sec 25 EST

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