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34255-03-3

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Basic Information
CAS No.: 34255-03-3
Name: 3-(4-chlorobenzyl)octahydro-2H-quinolizine 2,3-dihydroxybutanedioate (1:1)
Molecular Structure:
Molecular Structure of 34255-03-3 (3-(4-chlorobenzyl)octahydro-2H-quinolizine 2,3-dihydroxybutanedioate (1:1))
Formula: C16H22ClNC4H6O6
Molecular Weight: 413.94
Synonyms: 2H-Quinolizine,3-[(4-chlorophenyl)methyl]- octahydro-,(2R,3R)-2,3-dihydroxybutanedioate (1:1);QB 1;3-(p-CHLOROBENZYL)QUINOLIZIDINE TARTRATE;3-(p-CHLOROBENZYL)OCTAHYDRO-QUINOLIZINE TARTRATE (1:1);QB-1;
Density: g/cm3
Boiling Point: 358.8°Cat760mmHg
Flash Point: 170.8°C
Safety: Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl− and NOx.
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Chemistry

IUPAC Name: 3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine ;
 (2R,3R)-2,3-dihydroxybutanedioic acid
Empirical Formula: C20H28ClNO6
Molecular Weight: 413.89g/mol
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 5
Exact Mass 413.160515
MonoIsotopic Mass 413.160515
Flash Point: 170.8 °C
Boiling Point: 358.8 °C at 760 mmHg
Enthalpy of Vaporization: 60.43 kJ/mol
Vapour Pressure: 2.49E-05 mmHg at 25°C
SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(cc1)CC2CCC3N(C2)CCCC3
InChI: InChI=1/C16H22ClN.C4H6O6/c17-15-7-4-13(5-8-15)11-14-6-9-16-3-1-2-10-18(16)12-14;5-1(3(7)8)2(6)4(9)10/h4-5,7-8,14,16H,1-3,6,9-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey: UASAQZSNMBGOSS-LREBCSMRBR 
Structure of Cloquinozine tartrate (CAS NO.34255-03-3):

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31800ug/kg (31.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: STIFFNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Japanese Journal of Pharmacology. Vol. 16, Pg. 353, 1966.
mouse LD50 subcutaneous 430mg/kg (430mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: STIFFNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Japanese Journal of Pharmacology. Vol. 16, Pg. 353, 1966.
rat LD50 intravenous 45mg/kg (45mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: STIFFNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Japanese Journal of Pharmacology. Vol. 16, Pg. 353, 1966.

 

Safety Profile

Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl− and NOx.

Specification

  Cloquinozine tartrate , its cas register number is 34255-03-3. It also can be called 3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine and (2R,3R)-2,3-dihydroxybutanedioic acid . When heated to decomposition it emits toxic fumes of Cl− and NOx.