CAS No.19794-93-5,Trazodone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19794-93-5
Name:	Trazodone
Article Data:	8

Formula:	C₁₉H₂₂ClN₅O
Molecular Weight:	371.87
Synonyms:	s-Triazolo[4,3-a]pyridin-3(2H)-one,2-[3-[4-(m-chlorophenyl)-1-piperazinyl]propyl]- (8CI);Trazodon;2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one;
EINECS:	243-317-1
Density:	1.334 g/cm³
Melting Point:	86-87oC
Boiling Point:	528.532 °C at 760 mmHg
Flash Point:	273.446 °C
Appearance:	Brown oil
PSA:	45.78000
LogP:	3.16660

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History

Trazodone (19794-93-5) was originally discovered and developed in Italy in the 1960s by Angelini research laboratories as a second-generation antidepressant. It was developed according to the mental pain hypothesis, which was postulated from studying patients and which proposes that major depression is associated with a decreased pain threshold.[2] Trazodone was patented and marketed in many countries all over the world. It was approved by the Food and Drug Administration (FDA) at the end of 1981. It is closely related to nefazodone (Serzone).

Specification

The Trazodone, with the CAS registry number 19794-93-5, is also known as s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-. It belongs to the product categories of Active Pharmaceutical Ingredients; Trazodone; Intermediates & Fine Chemicals; Pharmaceuticals; Serotonin Receptor. Its EINECS registry number is 243-317-1. This chemical's molecular formula is C₁₉H₂₂ClN₅O and molecular weight is 371.86388. Its IUPAC name is called 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Physical properties of Trazodone: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 1.09; (5)ACD/BCF (pH 7.4): 9.68; (6)ACD/KOC (pH 5.5): 19.33; (7)ACD/KOC (pH 7.4): 171.45; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.67; (11)Molar Refractivity: 104.24 cm³; (12)Molar Volume: 278.8 cm³; (13)Surface Tension: 55 dyne/cm; (14)Density: 1.33 g/cm³; (15)Flash Point: 273.4 °C; (16)Enthalpy of Vaporization: 80.34 kJ/mol; (17)Boiling Point: 528.5 °C at 760 mmHg; (18)Vapour Pressure: 2.94E-11 mmHg at 25°C.

Preparation of Trazodone: This chemical can be perapared as the following steps:

Trazodone can be perapared as these steps

Uses: Trazodone also has anxiolytic, and hypnotic effects. Trazodone has considerably less prominent anticholinergic (dry mouth, constipation, tachycardia) and sexual side effects than most of the tricyclic antidepressants (TCAs).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl
(2)InChI: InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
(3)InChIKey: PHLBKPHSAVXXEF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	475mg/kg (475mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
mouse	LD50	intraperitoneal	210mg/kg (210mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
mouse	LD50	intravenous	91mg/kg (91mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
mouse	LD50	oral	610mg/kg (610mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
mouse	LD50	subcutaneous	> 1gm/kg (1000mg/kg)		Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
rat	LD50	intramuscular	> 1gm/kg (1000mg/kg)		Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
rat	LD50	intraperitoneal	178mg/kg (178mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
rat	LD50	intravenous	91mg/kg (91mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
rat	LD50	oral	690mg/kg (690mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
rat	LD50	subcutaneous	> 1gm/kg (1000mg/kg)		Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 21, Pg. 401, 1981.
women	TDLo	oral	8mg/kg/4D-I (8mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: EXCITEMENT	International Clinical Psychopharmacology. Vol. 13, Pg. 225, 1998.
women	TDLo	oral	14mg/kg (14mg/kg)	LIVER: "JAUNDICE, CHOLESTATIC"	Annals of Internal Medicine. Vol. 99, Pg. 572, 1983.
women	TDLo	oral	20mg/kg (20mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	Psychopathology. Vol. 17(Suppl,