CAS No.83846-83-7,Ketanserin tartrate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	83846-83-7
Name:	Ketanserin tartrate
Article Data:	1

Formula:	C₂₆H₂₈FN₃O₉
Molecular Weight:	545.521
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;
EINECS:	281-062-8
Melting Point:	183～186℃
Boiling Point:	780.4 °C at 760 mmHg
Flash Point:	425.8 °C
Solubility:	Ethanol: 3.3mg/mL
Appearance:	UN 2811 6.1/PG 3
Hazard Symbols:	T
Risk Codes:	25
Safety:	22-36/37/39-45
Transport Information:	white solid
PSA:	190.23000
LogP:	0.23910

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Specification

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.