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CAS No.: | 62013-04-1 |
---|---|
Name: | Dirithromycin |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C42H78N2O14 |
Molecular Weight: | 835.086 |
Synonyms: | Erythromycin,9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]oxy]-, [9S(R)]-;ASE 136;Antibiotic AS-E 136;Dynabac;Noriclan;Valodin; |
EINECS: | 624-080-7 |
Density: | 1.19 g/cm3 |
Melting Point: | 185 - 189oC |
Boiling Point: | 871.8 °C at 760 mmHg |
Flash Point: | 481 °C |
Appearance: | solid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 42/43-36/37/38 |
Safety: | 36-26 |
PSA: | 196.33000 |
LogP: | 2.53050 |
Molecular Structure of Dirithromycin (CAS NO.62013-04-1):
IUPAC Name: (1S,2R,4R,5R,6S,7S,8R,11R,12R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
Empirical Formula: C42H78N2O14
Molecular Weight: 835.0737
H bond acceptors: 16
H bond donors: 5
Freely Rotating Bonds: 16
Polar Surface Area: 143.54 Å2
Index of Refraction: 1.533
Molar Refractivity: 217.46 cm3
Molar Volume: 700.6 cm3
Surface Tension: 49.6 dyne/cm
Density: 1.19 g/cm3
Flash Point: 481 °C
Enthalpy of Vaporization: 143.95 kJ/mol
Boiling Point: 871.8 °C at 760 mmHg
Vapour Pressure: 1.72E-35 mmHg at 25°C
InChI
InChI=1/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
Smiles
O1[C@@H](O[C@H]2[C@@](C[C@H]([C@H]3[C@@H]([C@H]([C@@]([C@H](OC([C@@H]([C@H]([C@@H]2C)O[C@H]2C[C@](OC)(C)[C@H]([C@@H](O2)C)O)C)=O)CC)(O)C)O[C@@H](N3)COCCOC)C)C)(O)C)[C@@H]([C@H](C[C@H]1C)N(C)C)O
Hazard Codes: Xn,Xi
Risk Statements: 42/43
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
Dirithromycin , with CAS number of 62013-04-1, can be called Erythromycin,9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]oxy]-, [9S(R)]- ; 4,16-Dioxa-14-azabicyclo[11.3.1]heptadecane, erythromycin deriv ; Noriclan ; Valodin .The antibiotic was approved in 1995 by the FDA for use in the United States. But Now Dirithromycin is no longer available in the United States, The U.S. National Institutes of Health recommend that people taking dirithromycin consult their physicians to discuss switching to another treatment. Dirithromycin (CAS NO.62013-04-1) can be used as antibacterial,Semi-synthetic derivative of erythromycin. Dirithromycin kills certain bacteria or stops their growth. It treats respiratory (nose, throat, lung), and skin infections. It will not work for colds, flu or other virus infections. Generic dirithromycin tablets are not yet available.