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Etizolam

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Name Etizolam EINECS
CAS No. 40054-69-1 Density 1.43 g/cm3
Solubility Melting Point 147-148 °C
Formula C17H15ClN4S Boiling Point 545.3 °C at 760 mmHg
Molecular Weight 342.87 Flash Point 283.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 40054-69-1 (6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,4-(2-chlorophenyl)-2-ethyl-9-methyl-) Hazard Symbols
Synonyms

AHR 3219;Depas;Etizolam;Y 7131;Etizolam;Sedekopan;

 

Specification

The Etizolam, with the CAS registry number 40054-69-1, has the systematic name of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine. Etizolam is a thienodiazepine drug which is a benzodiazepine analog. The etizolam molecule differs from a benzodiazepine in that the benzene ring has been replaced by a thiophene ring. It possesses amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties.

The physical properties of Etizolam are as followings: 
(1)ACD/LogP: 2.2; (2)ACD/LogD (pH 5.5): 2.20; (3)ACD/LogD (pH 7.4): 2.20; (4)ACD/BCF (pH 5.5): 27.61; (5)ACD/BCF (pH 7.4): 27.67; (6)ACD/KOC (pH 5.5): 374.07; (7)ACD/KOC (pH 7.4): 374.76; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.734; (11)Molar Refractivity: 95.855 cm3; (12)Molar Volume: 239.206 cm3; (13)Polarizability: 38 10-24cm3; (14)Surface Tension: 53.9410018920898; (15)dyne/cm Density: 1.433 g/cm3; (16)Flash Point: 283.561 °C; (17)Enthalpy of Vaporization: 82.406 kJ/mol; (18)Boiling Point: 545.256 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Uses of Etizolam:
Etizolam is a thienodiazepine-based drug with multiple therapeutic properties that is sometimes used to treat anxiety, panic disorder, depression, or sleep disorders. At least one clinical trial has found etizolam to be more effective than a placebo in alleviating symptoms of depression and generalized anxiety disorder. This medication's effects are similar to those of the benzodiazepine drug family that includes lorazepam, clonazepam, and triazolam.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1/C4=N/Cc2nnc(n2c3sc(cc34)CC)C;
(2)InChI: InChI=1/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3;
(3)InChIKey: VMZUTJCNQWMAGF-UHFFFAOYAX;

The toxicity data of Etizolam is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 783mg/kg (783mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1021, 1978.
mouse LD50 oral 3070mg/kg (3070mg/kg)   United States Patent Document. Vol. #4094984,
mouse LDLo subcutaneous 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1021, 1978.
rat LD intravenous > 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1021, 1978.
rat LD50 intraperitoneal 825mg/kg (825mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1021, 1978.
rat LD50 oral 3509mg/kg (3509mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1021, 1978.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1158, 1978.

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