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CAS No.: | 78964-85-9 |
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Name: | Fosfomycin tromethamine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H11NO3.C3H7O4P |
Molecular Weight: | 259.196 |
Synonyms: | Monurol (TN);Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);Fosfomycin tromethamine (USAN);(1R,2S)-(1,2-Epoxypropyl)phosphonic acid, compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);Monurol;Fosfomycin compd. with trometamol;Z 1282;(2R-cis)-(3-Methyloxiranyl)phosphonic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1);Tromethamine-fosfomycin; |
EINECS: | 279-018-8 |
Boiling Point: | 357 °C at 760 mmHg |
Flash Point: | 169.7 °C |
Appearance: | white or off-white powder |
PSA: | 166.58000 |
LogP: | -1.73000 |
fosfomycin trometamol
Conditions | Yield |
---|---|
With acetic anhydride In methanol at 20 - 30℃; for 1.33333h; | 95.1% |
fosfomycin trometamol
Conditions | Yield |
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Stage #1: fosfomycin bis-tromethamine In methanol at 20℃; for 0.25h; Stage #2: With Cyclohexyl isocyanate In methanol at 20℃; for 0.633333h; Reagent/catalyst; | 90.5% |
2-amino-2-hydroxymethyl-1,3-propanediol
fosfomycin trometamol
Conditions | Yield |
---|---|
Stage #1: (1R,2S)-(-)-cis-1,2-epoxypropyl phosphoric acid-R-(+)-α-phenethylamine salt; 2-amino-2-hydroxymethyl-1,3-propanediol In methanol at 20℃; for 0.25h; Stage #2: With Cyclohexyl isocyanate In methanol at 20 - 33℃; for 0.633333h; Reagent/catalyst; | 86.2% |
fosfomycin trometamol
Conditions | Yield |
---|---|
With methanesulfonic acid In ethanol at 48 - 50℃; for 0.833333h; Reagent/catalyst; Temperature; | 72.3% |
With methanesulfonic acid In ethanol at 48 - 50℃; for 0.833333h; Temperature; |
2-amino-2-hydroxymethyl-propane-1,3-diol; hydrogenoxalate
phosphomycin disodium salt
fosfomycin trometamol
Conditions | Yield |
---|---|
In methanol at 20 - 65℃; for 3 - 4h; |
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Purity: EP4
EP: Assay: 98.0%-102.0%
Impurities A,B: not more than 0.3%
Impurities C,D: not more than 0.1%
Any other impurity: not more than 0.1%
Total impurities: not more than 0.5%
The IUPAC name of Fosfomycin trometamol is 2-amino-2-(hydroxymethyl)propane-1,3-diol; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid. With the CAS registry number 78964-85-9, it is also named as Fosfomycin tromethamine. The product's classification codes are Anti-Infective Agents; Antibacterial; Drug / Therapeutic Agent. Besides, it is an antibiotic produced by Streptomyces fradiae. In addition, its molecular formula is C4H11NO3.C3H7O4P and molecular weight is 259.19.
The other characteristics of Fosfomycin trometamol can be summarized as: (1)EINECS: 279-018-8; (2)ACD/LogP: -1.38; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -4.43; (5)ACD/LogD (pH 7.4): -3.51; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 5; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 27.69 Å2; (14)Flash Point: 169.7 °C; (15)Enthalpy of Vaporization: 69.73 kJ/mol; (16)Boiling Point: 357 °C at 760 mmHg; (17)Vapour Pressure: 1.57E-06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: [O-]P(=O)(O)[C@H]1O[C@H]1C.OCC([NH3+])(CO)CO
(2)InChI: InChI=1/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1
(3)InChIKey: QZJIMDIBFFHQDW-LMLSDSMGBH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | unreported | > 10gm/kg (10000mg/kg) | Drugs of the Future. Vol. 13, Pg. 77, 1988. | |
rat | LD50 | unreported | > 10gm/kg (10000mg/kg) | Drugs of the Future. Vol. 13, Pg. 77, 1988. |