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Name |
Ketanserin tartrate |
EINECS | 281-062-8 |
CAS No. | 83846-83-7 | Density | N/A |
PSA | 190.23000 | LogP | 0.23910 |
Solubility | Ethanol: 3.3mg/mL | Melting Point |
183~186℃ |
Formula | C26H28FN3O9 | Boiling Point | 780.4 °C at 760 mmHg |
Molecular Weight | 545.521 | Flash Point | 425.8 °C |
Transport Information | white solid | Appearance | UN 2811 6.1/PG 3 |
Safety | 22-36/37/39-45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
Ketanserin tartrate hydrate;KJK 945;Prestwick_738;2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4- fluorobenzoyl)-1-piperidinyl]ethyl]-,(2R,3R)- 2,3-dihydroxybutanedioate (1:1);2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione; hydrate; |
Article Data | 1 |
The IUPAC name of Ketanserin tartrate is 2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione. With the CAS registry number 83846-83-7, it is also named as 3-(2-(4-(p-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione L-tartrate. The product's categories are Serotonin Receptor; Serotonin, and the other registry number is 84001-70-7. Besides, it is white solid, which should be stored at 2-8 °C. In addition, its molecular formula is C26H28FN3O9 and molecular weight is 545.51.
The other characteristics of Ketanserin tartrate can be summarized as: (1)EINECS: 281-062-8; (2)ACD/LogP: 3.21; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.13; (5)ACD/LogD (pH 7.4): 2.78; (6)ACD/BCF (pH 5.5): 1.35; (7)ACD/BCF (pH 7.4): 60.85; (8)ACD/KOC (pH 5.5): 11.04; (9)ACD/KOC (pH 7.4): 499.32; (10)#H bond acceptors: 6; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 60.93 Å2; (14)Flash Point: 425.8 °C; (15)Solubility: Ethanol: 3.3mg/mL; (16)Enthalpy of Vaporization: 119.12 kJ/mol; (17)Boiling Point: 780.4 °C at 760 mmHg; (18)Vapour Pressure: 1.21E-25 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is toxic if swallowed. Please do not breathe dust. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(O)C(O)C(=O)O.Fc1ccc(cc1)C(=O)C4CCN(CCN3C(=O)c2ccccc2NC3=O)CC4
(2)InChI: InChI=1/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)
(3)InChIKey: KMTLTEVOQLMYRS-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 26700ug/kg (26.7mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
dog | LD50 | oral | 570mg/kg (570mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
mouse | LD50 | intraperitoneal | 71500ug/kg (71.5mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
mouse | LD50 | intravenous | 37100ug/kg (37.1mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
mouse | LD50 | oral | 164mg/kg (164mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
mouse | LD50 | subcutaneous | 150mg/kg (150mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
rat | LD50 | intraperitoneal | 204mg/kg (204mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
rat | LD50 | intravenous | 41100ug/kg (41.1mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
rat | LD50 | oral | 129mg/kg (129mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
rat | LD50 | subcutaneous | 348mg/kg (348mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 22, Pg. 1215, 1988. |
women | TDLo | oral | 64mg/kg (64mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE | Postgraduate Medical Journal. Vol. 67, Pg. 857, 1991. |