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161832-65-1

Basic Information
CAS No.: 161832-65-1
Name: Talampanel
Article Data: 5
Molecular Structure:
Molecular Structure of 161832-65-1 (Talampanel)
Formula: C19H19N3O3
Molecular Weight: 337.378
Synonyms: 7H-1,3-Dioxolo[4,5-h][2,3]benzodiazepine,7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-, (R)-;(R)-(-)-1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine;GYKI 53773;LY 300164;Talampanel;
Density: 1.37 g/cm3
Melting Point: 169-172°
Boiling Point: 528.9 °C at 760 mmHg
Flash Point: 273.7 °C
Hazard Symbols: T,N
Risk Codes: 25-50/53
Safety: 45-60-61
PSA: 77.15000
LogP: 2.49770
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Specification

The systematic name of Talampanel is 1-[(8R)-5-(4-Aminophenyl)-8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone. With the CAS registry number 161832-65-1, it is also named as (R)-(-)-1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine. The product's classification code is Drug / Therapeutic Agent. In addition, its molecular formula is C19H19N3O3 and its molecular weight is 337.37. 

The other characteristics of Talampanel can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 4.96; (6)ACD/BCF (pH 7.4): 5.05; (7)ACD/KOC (pH 5.5): 108.86; (8)ACD/KOC (pH 7.4): 110.92; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 92.09 cm3; (15)Molar Volume: 245.1 cm3; (16)Polarizability: 36.51×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 273.7 °C; (20)Enthalpy of Vaporization: 80.38 kJ/mol; (21)Boiling Point: 528.9 °C at 760 mmHg; (22)Vapour Pressure: 2.84E-11 mmHg at 25 °C.

Uses of Talampanel: this chemical is is a drug which is being investigated for the treatment of epilepsy, malignant gliomas and amyotrophic lateral sclerosis. Furthermore, it is a noncompetitive antagonist of the ampa receptor, a type of glutamate receptor in the central nervous system.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(N4/N=C(/c1ccc(N)cc1)c3c(cc2OCOc2c3)C[C@H]4C)C
(2)InChI:InChI=1/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
(3)InChIKey:JACAAXNEHGBPOQ-LLVKDONJBW
(4)Std. InChI:InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
(5)Std. InChIKey:JACAAXNEHGBPOQ-LLVKDONJSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 73500ug/kg (73.5mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
United States Patent Document. Vol. #5519019,
mouse LD50 oral 100mg/kg (100mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
United States Patent Document. Vol. #5519019,