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113-69-9

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Basic Information
CAS No.: 113-69-9
Name: 3-carbamoyl-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,11-dimethoxy-2H-benzo[a]quinolizin-2-yl acetate hydrochloride
Molecular Structure:
Molecular Structure of 113-69-9 (3-carbamoyl-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,11-dimethoxy-2H-benzo[a]quinolizin-2-yl acetate hydrochloride)
Formula: C22H32 N2 O5 . Cl H
Molecular Weight: 441.02
Synonyms: 2H-Benzo[a]quinolizine-3-carboxamide,2-(acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-,monohydrochloride (9CI); 2H-Benzo[a]quinolizine-3-carboxamide,N,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-, acetate (ester),monohydrochloride (8CI); Benzoquinamide hydrochloride; Benzquinamidehydrochloride
Density: g/cm3
Boiling Point: 531°Cat760mmHg
Flash Point: 274.9°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx. A tranquilizer and antiemetic.
PSA: 68.31000
LogP: 3.16290
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Chemistry

IUPAC Name: [3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] acetate hydrochloride
Synonyms of Benzquinamide hydrochloride (CAS NO.113-69-9): 2-Acetoxy-3-diethylcarbamoyl-9,10-dimethoxyhexahydrobenzo(a)quinolizine hydrochloride ; Benzquinamida clorhidrato ; Benzquinamida clorhidrato [Spanish] ; Benzquinamide hydrochloride ; EINECS 204-033-3 ; Emete-con ; NSC 64375 ; P-2647 hydrochloride ; Promecon ; UNII-3221WFM86J ; 2H-Benzo(a)quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-, acetate (ester), hydrochloride ; 3-Carbamoyl-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,11-dimethoxy-2H-benzo(a)quinolizin-2-yl acetate hydrochloride
CAS NO: 113-69-9
Molecular Formula of Benzquinamide hydrochloride (CAS NO.113-69-9): C22H33ClN2O5
Molecular Weight: 440.9608
Molecular Structure:

H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 68.31 Å2
Flash Point of Benzquinamide hydrochloride (CAS NO.113-69-9): 274.9 °C
Enthalpy of Vaporization: 80.64 kJ/mol
Boiling Point: 531 °C at 760 mmHg
Vapour Pressure: 2.33E-11 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 295mg/kg (295mg/kg)   Medicamentos de Actualidad. Vol. 11, Pg. 9, 1975.
mouse LD50 oral 580mg/kg (580mg/kg)   Medicamentos de Actualidad. Vol. 11, Pg. 9, 1975.
rat LD50 oral 990mg/kg (990mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx. A tranquilizer and antiemetic.