CAS No.12650-69-0,Mupirocin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	12650-69-0
Name:	Mupirocin
Article Data:	4

Formula:	C₂₆H₄₄O₉
Molecular Weight:	500.63
Synonyms:	5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S)]]-L-talonon-2-enonic acid 8-carboxyoctyl ester;Mupirocinum;Pseudomonic acid;Pseudomonic acid A;UNII-D0GX863OA5;
EINECS:	231-791-2
Density:	1.183 g/cm³
Melting Point:	77-78 ºC
Boiling Point:	672.3 ºC at 760 mmHg
Flash Point:	216.5 ºC
Solubility:	soluble in water: 12 mg/mL
Appearance:	white crystalline solid
PSA:	146.05000
LogP:	2.59250

Raw Materials

50-69-1

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Specification

Mupirocin is one kind of white crystalline solid. The IUPAC name of Mupirocin is 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid. Besides, Mupirocin belongs to active pharmaceutical ingredients; intermediates & fine chemicals; pharmaceuticals. It is an antibiotic originally isolated from Pseudomonas fluorescens NCIMB 10586, developed by Beecham. In addition, the Classification Code of it is Anti-Bacterial Agents; Anti-Infective Agents; Antibacterial [topical]; Drug / Therapeutic Agent; Enzyme Inhibitors; Natural Product; Protein Synthesis Inhibitors. The water solubility of Mupirocin is 2.65e-02 g/l. In other words, it can soluble in water which is 12 mg/mL.

Physical properties about Mupirocin are: (1)ACD/LogP: 3.443; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 38.70; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 282.50; (8)ACD/KOC (pH 7.4): 4.53; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 20; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 129.517 cm³; (14)Molar Volume: 423.051 cm³; (15)Polarizability: 51.344 10-24cm³; (16)Surface Tension: 49.0620002746582 dyne/cm; (17)Density: 1.183 g/cm³; (18)Flash Point: 216.524 °C; (19)Enthalpy of Vaporization: 113.012 kJ/mol; (20)Boiling Point: 672.313 °C at 760 mmHg

Preparation of Mupirocin: Mupirocin is obtained by the Pseudomonas fluorescens which produces a class of substances, including Pseudomonas acid A, B, C, D. Mupirocin is one of the major metabolites Pseudomonas acid A.

Uses of Mupirocin: Mupirocin is bacteriostatic at low concentrations and bactericidal at high concentrations. It is used topically and is effective against Gram-positive bacteria, including MRSA. treatment for bacterial skin infections. Mupirocin is a topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1;
(2)InChIKey=MINDHVHHQZYEEK-HBBNESRFSA-N;
(3)SmilesC1[C@@H]([C@H]([C@H]([C@@H](O1)C\C(=C\C(OCCCCCCCCC(O)=O)=O)C)O)O)C[C@H]1[C@@H](O1)[C@H]([C@H](C)O)C;

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	1638mg/kg (1638mg/kg)	United States Patent Document. Vol. #4206224,
mouse	LD50	oral	5gm/kg (5000mg/kg)	United States Patent Document. Vol. #4206224,
mouse	LD50	subcutaneous	4gm/kg (4000mg/kg)	United States Patent Document. Vol. #4206224,
rat	LD50	intravenous	1310mg/kg (1310mg/kg)	United States Patent Document. Vol. #4206224,
rat	LD50	oral	5gm/kg (5000mg/kg)	United States Patent Document. Vol. #4206224,
rat	LD50	subcutaneous	5gm/kg (5000mg/kg)	United States Patent Document. Vol. #4206224,