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| CAS No.: | 19794-93-5 |
|---|---|
| Name: | Trazodone |
| Molecular Structure: | |
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| 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:
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, |