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22797-20-2

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Basic Information
CAS No.: 22797-20-2
Name: 10-[2-(Dimethylamino)ethyl]-8-(ethylsulfonyl)-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one
Molecular Structure:
Molecular Structure of 22797-20-2 (10-[2-(Dimethylamino)ethyl]-8-(ethylsulfonyl)-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one)
Formula: C20H25 N3 O3 S
Molecular Weight: 387.503
Synonyms: 5-Methyl-8-ethylsulfonyl-10-(2-dimethylaminoethyl)-5H-dibenzo[b,e][1,4]diazepine-11(10)-one;5-Methyl-8-ethylsulfonyl-10-(2-dimethylaminoethyl)-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one
Density: 1.216g/cm3
Boiling Point: 603.1°Cat760mmHg
Flash Point: 318.5°C
Safety: Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 72.69000
LogP: 3.49140
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    5-(2-dimethylaminoethyl)-3-ethylsulfonyl-11-methylbenzo[b][1,4]benzodiazepin-6-one

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Chemistry

Molecular structure of 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(2-(dimethylamino)ethyl)-8-ethylsulfonyl-5-methyl- (CAS NO.22797-20-2) is:

Product Name: 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(2-(dimethylamino)ethyl)-8-ethylsulfonyl-5-methyl-
CAS Registry Number: 22797-20-2
IUPAC Name: 5-(2-dimethylaminoethyl)-3-ethylsulfonyl-11-methylbenzo[b][1,4]benzodiazepin-6-one
Molecular Weight: 387.4958 [g/mol]
Molecular Formula: C20H25N3O3S
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Surface Tension: 45.4 dyne/cm
Density: 1.216 g/cm3
Flash Point: 318.5 °C
Enthalpy of Vaporization: 89.71 kJ/mol
Boiling Point: 603.1 °C at 760 mmHg
Vapour Pressure: 1.69E-14 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 354mg/kg (354mg/kg) BEHAVIORAL: EXCITEMENT Japanese Journal of Pharmacology. Vol. 21, Pg. 47, 1971.
mouse LD50 intravenous 74mg/kg (74mg/kg)   Japanese Journal of Pharmacology. Vol. 21, Pg. 47, 1971.
mouse LD50 oral 857mg/kg (857mg/kg)   Japanese Journal of Pharmacology. Vol. 21, Pg. 47, 1971.

Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 5-25-02-00171 (Beilstein Handbook Reference) , its cas register number is 22797-20-2. It also can be called 5-25-02-00171 (Beilstein Handbook Reference) ; BRN 0722352 ; SM-307 .