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59128-97-1

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Basic Information
CAS No.: 59128-97-1
Name: Haloxazolam
Article Data: 1
Molecular Structure:
Molecular Structure of 59128-97-1 (Haloxazolam)
Formula: C17H14 Br F N2 O2
Molecular Weight: 377.213
Synonyms: CS 430;Haloxazolam; Somelin
Density: 1.64g/cm3
Melting Point: 185°
Boiling Point: 506.8°C at 760 mmHg
Flash Point: 260.3°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F, Br, and NOx. An experimental teratogen. A sedative and hypnotic agent. Note: This is a controlled substance (depressant) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.14 (1985). See also DIAZEPAM.
PSA: 41.57000
LogP: 3.14950
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Chemistry

IUPAC Name: 10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Synonyms: 10-Bromo-11b-(2-fluorophenyl)-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one
Structure Descriptors :
  Smiles: c12[C@@]3([N@@](CCO3)CC(=O)Nc1ccc(c2)Br)c1c(cccc1)F
Molecular Formula of  Haloxazolam (CAS NO.59128-97-1 ) : C17H14BrFN2O2
Molecular Structure of  Haloxazolam (CAS NO.59128-97-1 ) :

Molecular Weight: 377.21 g/mol
Index of Refraction: 1.691
Density: 1.64 g/cm3
Melting point: 185°C
Flash Point: 260.3 °C
Surface Tension: 65.3 dyne/cm
Enthalpy of Vaporization: 77.68 kJ/mol
Boiling Point: 506.8 °C at 760 mmHg
Vapour Pressure: 2.15E-10 mmHg at 25°C 
Water solubility: 16.13 mg/mL (25°C)
Appearance of Haloxazolam (CAS NO.59128-97-1 ) : Colorless crystals
 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
infant TDLo oral 2mg/kg (2mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
BEHAVIORAL: SLEEP
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 2597, 1996.
mouse LD50 intraperitoneal > 15gm/kg (15000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1501, 1980.
mouse LD50 oral 1413mg/kg (1413mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 27, Pg. 64, 1975.
mouse LD50 subcutaneous > 15gm/kg (15000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1501, 1980.
rat LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1501, 1980.
rat LD50 oral 2858mg/kg (2858mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 27, Pg. 64, 1975.
rat LD50 subcutaneous > 3gm/kg (3000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1501, 1980.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition Haloxazolam (CAS NO.59128-97-1 ) emits toxic fumes of F, Br, and NOx. An experimental teratogen. A sedative and hypnotic agent. Note: This is a controlled substance (depressant) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.14 (1985). See also DIAZEPAM.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III

Specification

Classification Code of  Haloxazolam (CAS NO. 59128-97-1 ) : Drug / Therapeutic Agent;Reproductive Effect