CAS No.53746-45-5,Fenoprofen calcium Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53746-45-5
Name:	Fenoprofen calcium

Formula:	C₃₀H₂₆CaO₆.2H₂O
Molecular Weight:	558.63
Synonyms:	(+-)-alpha-methyl-3-phenoxybenzeneaceticacidcalciumsaltdihydrate;calcium2-(m-phenoxyphenyl)propionatedihydrate;
EINECS:	252-107-9
Density:	1.17
Melting Point:	-40 °C
Boiling Point:	381.3 °C at 760 mmHg
Flash Point:	141.7 °C
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	89.52000
LogP:	7.05120

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Specification

The Fenoprofen calcium with the cas registry number 53746-45-5, Its systematic name is Calcium 2-(3-phenoxyphenyl)propanoate . It also can be called as Benzeneacetic acid, alpha-methyl-3-phenoxy-, calcium salt (2:1) ; Bis[2-(3-phénoxyphényl)propanoate] de calcium ; 2-(3-Phenoxyphenyl)propionic acid calcium salt .

Properties of Fenoprofen calcium :(1)Enthalpy of Vaporization: 66.41 kJ/mol ; (2)Vapour Pressure: 1.71E-06 mmHg at 25 °C ; (3)H-Bond Donor: 2 ; (4)H-Bond Acceptor: 8 ; (5)Rotatable Bond Count: 6

You can still convert the following datas into molecular structure :
(1)SMILES: [Ca+2].[O-]C(=O)C(c2cc(Oc1ccccc1)ccc2)C.[O-]C(=O)C(c2cc(Oc1ccccc1)ccc2)C
(2)InChI: InChI=1/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2
(3)InChIKey: VHUXSAWXWSTUOD-NUQVWONBAD
(4)Std. InChI: InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2
(5)Std. InChIKey: VHUXSAWXWSTUOD-UHFFFAOYSA-L

Toxicity data of Fenoprofen calcium (CAS No.53746-45-5) is as following:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	521mg/kg/17W- (521mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Annals of Internal Medicine. Vol. 93, Pg. 508, 1980.
mouse	LD50	intraperitoneal	286mg/kg (286mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Yakkyoku. Pharmacy. Vol. 34, Pg. 363, 1983.
mouse	LD50	intravenous	471mg/kg (471mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Yakkyoku. Pharmacy. Vol. 34, Pg. 363, 1983.
mouse	LD50	oral	439mg/kg (439mg/kg)		Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 36, 1986.
mouse	LD50	subcutaneous	463mg/kg (463mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Yakkyoku. Pharmacy. Vol. 34, Pg. 363, 1983.
rat	LD50	intraperitoneal	234mg/kg (234mg/kg)	GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE GASTROINTESTINAL: OTHER CHANGES BLOOD: NORMOCYTIC ANEMIA	Yakkyoku. Pharmacy. Vol. 34, Pg. 363, 1983.
rat	LD50	intravenous	526mg/kg (526mg/kg)	GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE BLOOD: NORMOCYTIC ANEMIA GASTROINTESTINAL: OTHER CHANGES	Yakkyoku. Pharmacy. Vol. 34, Pg. 363, 1983.
rat	LD50	oral	415mg/kg (415mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER BLOOD: NORMOCYTIC ANEMIA	Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4385, 1980.
rat	LD50	subcutaneous	366mg/kg (366mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 1128, 1982.
women	LDLo	oral	8748mg/kg/35W (8748mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS	American Journal of Medicine. Vol. 72, Pg. 81, 1982.
women	TDLo	oral	720mg/kg/30D- (720mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	JAMA, Journal of the American Medical Association. Vol. 242, Pg. 1896, 1979.
women	TDLo	oral	1898mg/kg/12W (1898mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Annals of Internal Medicine. Vol. 92, Pg. 72, 1980.
women	TDLo	oral	5832mg/kg/35W (5832mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS	American Journal of Medicine. Vol. 72, Pg. 81, 1982.