Phosphomycin calcium salt supplier

Name
Phosphomycin calcium salt
EINECS 247-408-7
CAS No. 26016-98-8
Density
Solubility Slightly soluble in water, in almost insoluble in methanol, insoluble in acetone, chloroform, ethyl ether and benzene
Melting Point
Formula C₃H₅O₄P^.Ca
Boiling Point 342.7 °C at 760 mmHg
Molecular Weight 176.12
Flash Point 161 °C
Transport Information
Appearance White crystal powder, tasteless
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphonicacid, (1,2-epoxypropyl)-, calcium salt (1:1), (1R,2S)-(-)- (8CI);Phosphonicacid, (3-methyloxiranyl)-, calcium salt (1:1), (2R-cis)-;Calcium hydrogen (2R-cis)-(3-methyloxiranyl)phosphonate;Calcium phosphonomycin;Fosfomycincalcium salt;Levo-phosphonomycincalcium salt;Calcium (2S,3R)-3-methyloxiran-2-ylphosphonate;Phosphonic acid,P-[(2R,3S)-3-methyl-2-oxiranyl]-, calcium salt (1:1);Fosfomycin calcium;
PSA 85.53000
LogP 0.78530

Phosphomycin calcium salt Specification

The Phosphomycin calcium salt, with the CAS registry number 26016-98-8, is also known as Phosphonic acid,P-[(2R,3S)-3-methyl-2-oxiranyl]-, calcium salt (1:1). It belongs to the product categories of Drug bulk; Chiral. Its EINECS number is 247-408-7. This chemical's molecular formula is C₃H₅O₄P^.Ca and molecular weight is 176.12. What's more, its systematic name is Calcium [(2R,3S)-3-methyl-2-oxiranyl]phosphonate. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Reproductive Effect. This chemical should be sealed and stored in a dry and ventilated place. Its storage temperature is 2-8°C. It is used in the treatment of diarrhea and typhoid disease.

Physical properties of Phosphomycin calcium salt are: (1)ACD/LogP: -2.977; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.31; (4)ACD/LogD (pH 7.4): -6.86; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.87 Å²; (13)Flash Point: 161 °C; (14)Enthalpy of Vaporization: 64.44 kJ/mol; (15)Boiling Point: 342.7 °C at 760 mmHg; (16)Vapour Pressure: 1.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]P([O-])(=O)[C@H]1O[C@H]1C
(2)Std. InChI: InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1
(3)Std. InChIKey: YMZJBJPWTXJQMR-LJUKVTEVSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	994mg/kg (994mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 811, 1980.
mouse	LD50	oral	> 3500mg/kg (3500mg/kg)	Drugs in Japan Vol. 6, Pg. 786, 1982.
mouse	LD50	subcutaneous	> 3500mg/kg (3500mg/kg)	Drugs in Japan Vol. 6, Pg. 786, 1982.
rat	LD50	intraperitoneal	1036mg/kg (1036mg/kg)	Drugs in Japan Vol. 6, Pg. 785, 1982.
rat	LD50	oral	> 7gm/kg (7000mg/kg)	Drugs in Japan Vol. 6, Pg. 786, 1982.
rat	LD50	subcutaneous	> 3500mg/kg (3500mg/kg)	Drugs in Japan Vol. 6, Pg. 786, 1982.

Product Name

Phosphomycin calcium salt

Phosphomycin calcium salt Specification

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