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Loxapine succinate salt (27833-64-3)

Identification
Name:Loxapine succinate salt
Synonyms:Loxapine succinate (USP);Succinic acid, compound with 2-chloro-11-(4-methylpiperazin-1-yl)dibenz(b,f)(1,4)oxazepine (1:1);Lederle;Loxitane;Loxapac;1977-10-2;Succinic acid, compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine (1:1);Daxolin;Loxitane (TN);Butanedioic acid,compounds,compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz- [b,f][1,4]oxazepine (1:1);CL 71563;Cloxazepin;2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine succinate (1:1);Butanedioic acid, compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine (1:1);Loxapine succinate [USAN];Prestwick_304;Loxapine succinate;
CAS:27833-64-3
EINECS: 248-682-0
Molecular Formula: C18H18ClN3O.C4H6O4
Molecular Weight: 327.80802
InChI: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
Molecular Structure: (C18H18ClN3O.C4H6O4) Loxapine succinate (USP);Succinic acid, compound with 2-chloro-11-(4-methylpiperazin-1-yl)dibenz(b,f...
Properties
Flash Point: 231.1°C
Boiling Point: 458.6°Cat760mmHg
Density:g/cm3
Water Solubility:H2O: soluble
Solubility:H2O: soluble
Appearance:White to Of-White Solid
Specification:

The Loxapine succinate salt with its cas register number is 27833-64-3. It also can be called as Succinic acid 2-chloro-11-(4-methylpiperazin-1-yl)dibenz[b,f][1,4]oxazepine salt and the IUPAC Name about this chemical is butanedioic acid; 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine. It belongs to the following product categories, such as Intermediates, &, Fine, Chemicals, Pharmaceuticals, Antagonists, Dopaminergics, Neurotransmitters and so on.

Physical properties about Loxapine succinate salt are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 1.71; (5)ACD/BCF (pH 7.4): 46.67; (6)ACD/KOC (pH 5.5): 17.77; (7)ACD/KOC (pH 7.4): 483.97; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 28.07Å2; (11)Enthalpy of Vaporization: 71.89 kJ/mol; (12)Vapour Pressure: 1.36E-08 mmHg at 25°C.

The Loxapine succinate salt can be used as a D2/D4-Dopamine receptor antagonist and a serotonergic receptor antagonist, it also can be used as a dibenzoxazepine antipsychotic agent.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)O.Clc2ccc1Oc4c(/N=C(\c1c2)N3CCN(C)CC3)cccc4
(2)InChI: InChI=1/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
(3)InChIKey: YQZBAXDVDZTKEQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
(5)Std. InChIKey: YQZBAXDVDZTKEQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
women LDLo oral 30mg/kg (30mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA		 Clinical Toxicology. Vol. 14, Pg. 181, 1979.
women TDLo oral 6mg/kg/2D-I (6mg/kg) BEHAVIORAL: TOXIC PSYCHOSIS Journal of Clinical Psychiatry. Vol. 44, Pg. 37, 1983.
women TDLo oral 27mg/kg/9D-I (27mg/kg) ENDOCRINE: HYPERGLYCEMIA Journal of Clinical Psychiatry. Vol. 44, Pg. 347, 1983.

 

Flash Point: 231.1°C
Color: white
Usage:A D2/D4-Dopamine receptor antagonist. A serotonergic receptor antagonist. A dibenzoxazepine antipsychotic agent
Safety Data
 

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