CAS No.1404-04-2,NEOMYCIN SULFATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1404-04-2
Name:	NEOMYCIN SULFATE

Formula:	C₂₃H₄₆N₆O₁₃
Molecular Weight:	614.31
Synonyms:	Bycomycin;Fradiomycin;Jernadex;Myacyne;Neomas;Neomin;Pimavecort;Vonamycin Powder V;
EINECS:	215-773-1
Density:	1.616 g/cm³
Melting Point:	250 °C (decomp)
Boiling Point:	927.064 °C at 760 mmHg
Flash Point:	514.47 °C
Hazard Symbols:	Xn
Risk Codes:	42/43
Safety:	22-36/37-45
PSA:	602.05000
LogP:	-3.40950

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History

Neomycin (CAS NO.1404-04-2) was discovered in 1949 by the microbiologist Selman Waksman and his student Hubert Lechevalier at Rutgers University. It is produced naturally by the bacterium .

Consensus Reports

Neomycin (CAS NO.1404-04-2) is reported in EPA TSCA Inventory.

Specification

The Neomycin, with the CAS registry number 1404-04-2, is also known as Bykomycin. It's classification codes are Anti-Bacterial Agents; Anti-Infective Agents; Drug / Therapeutic Agent; Enzyme Inhibitors; Human Data; Mutation Data; Natural Product; Protein Synthesis Inhibitors. This chemical's molecular formula is C₂₃H₄₆N₆O₁₃ and molecular weight is 614.31. What's more, its systematic name is called (1R,2R,3S,4R,6S)-4,6-Diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside. Neomycin is an aminoglycoside antibiotic found in many topical medications such as creams, ointments, and eyedrops. Neomycin is overwhelmingly used as a topical preparation, such as Neosporin. This chemical can also be given oraly, where it is usually combined with other antibiotics. It has also been used to treat small intestinal bacterial overgrowth.

Physical properties about Neomycin are: (1)ACD/LogP: -5.956; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -13.82; (4)ACD/LogD (pH 7.4): -12.21; (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: 19; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 353.11 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 142.896 cm³; (15)Molar Volume: 380.352 cm³; (16)Polarizability: 56.648×10^-24cm³; (17)Surface Tension: 103.90 dyne/cm; (18)Density: 1.616 g/cm³; (19)Flash Point: 514.47 °C; (20)Enthalpy of Vaporization: 153.02 kJ/mol; (21)Boiling Point: 927.064 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O([C@H]3[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]1O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]1N)[C@H]2O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4N)CN
(2) InChI: InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
(3) InChIKey: PGBHMTALBVVCIT-VCIWKGPPSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	unreported	57mg/kg (57mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CHANGES IN COCHLEAR STRUCTURE OR FUNCTION: EAR KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	Annals of Internal Medicine. Vol. 66, Pg. 1052, 1967.
mouse	LD50	intraperitoneal	116mg/kg (116mg/kg)		"Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 664, 1978.
mouse	LD50	intravenous	27600ug/kg (27.6mg/kg)		Antibiotiki. Vol. 21, Pg. 532, 1976.
mouse	LD50	oral	2880mg/kg (2880mg/kg)		"Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 664, 1978.
mouse	LD50	subcutaneous	275mg/kg (275mg/kg)		Antibiotiki. Vol. 17, Pg. 522, 1972.
rat	LD50	oral	2750mg/kg (2750mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat	LD50	subcutaneous	633mg/kg (633mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 176, Pg. 59, 1968.
women	TDLo	oral	220mg/kg/2D (220mg/kg)	KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	Laryngoscope. Vol. 78, Pg. 1734, 1968.