| 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.
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