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Chloramphenicol palmitate

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Name

Chloramphenicol palmitate

EINECS 208-477-9
CAS No. 530-43-8 Density 1.172 g/cm3
PSA 121.45000 LogP 7.85530
Solubility 8.423ug/L(25 oC) Melting Point 90 °C
Formula C27H42Cl2N2O6 Boiling Point 691.6 °C at 760 mmHg
Molecular Weight 561.546 Flash Point 372.1 °C
Transport Information N/A Appearance white or slightly yellow crystalline powder
Safety 36/37-36-26 Risk Codes 40-36/37/38-20/21/22
Molecular Structure Molecular Structure of 530-43-8 (Chloramphenicol palmitate) Hazard Symbols HarmfulXn
Synonyms

Hexadecanoicacid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester(9CI);Palmitic acid, ester with chloramphenicol (6CI);Chlorambon;Chloramphenicol monopalmitate;Chloramphenicol monopalmitate(ester);Chloramphenicol palmitate (ester);D-(-)-Chloramphenicolpalmitate;

Article Data 13

Chloramphenicol palmitate Specification

The Chloramphenicol palmitate, with the CAS registry number 530-43-8, has the IUPAC name [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate. Its molecular formula is C27H42Cl2N2O6 and its classification codes are Antibacterial; Antirickettsial; Reproductive Effect. Additionally, the product categories of this chemical are Bacteriostatic Alphabetic; CH Antibiotics; Antibiotics; C; Chemical Structure; Chromatography; Others Analytical Standards; Principle. This chemical is soluble in methanol, ethanol, chloroform, ether, benzene and it's used as antibiotic drugs.

Other characteristics of the Chloramphenicol palmitate can be summarised as followings: (1)ACD/LogP: 9.04; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.04; (4)ACD/LogD (pH 7.4): 9.04; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1968133.25; (8)ACD/KOC (pH 7.4): 1966668.75; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 101.66 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 146.92 cm3; (15)Molar Volume: 478.9 cm3; (16)Polarizability: 58.24×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 372.1 °C; (20)Enthalpy of Vaporization: 106.43 kJ/mol; (21)Boiling Point: 691.6 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-20 mmHg at 25°C.

Production method of this chemical: Adding α-methyl pyridine and benzene into pot, stirring it with chloramphenicol, maintaining the temperature 32-37 °C and dropping palm chloride, then continue to stir it for 4h and taking it into 15 times water, you can get the crude. The tasteless chloramphenicol could be made after washing, bleaching and recrystallization.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc([N+]([O-])=O)cc1)COC(=O)CCCCCCCCCCCCCCC
2.InChI: InChI=1/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1
3.InChIKey: PXKHGMGELZGJQE-ILBGXUMGBH

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2640mg/kg (2640mg/kg)   Drugs in Japan Vol. 6, Pg. 248, 1982.

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