CAS No.49842-07-1,Tobramycin sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49842-07-1
Name:	Tobramycin sulfate

Formula:	C₁₈H₃₇N₅O₉^.H₂O₄S
Molecular Weight:	565.599
Synonyms:	D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-, sulfate (2:5) (salt) (9CI);1-Epitobramycin sulfate;Distobram;Gernebcin;Nebcin;Nebicina;Obracin;Tenemicin;Tobi;Tobra;Tobramycin sulfate;
EINECS:	256-499-2
Density:	1.52g/cm3
Boiling Point:	775.4 °C at 760 mmHg
Flash Point:	422.8 °C
Solubility:	Soluble in water (50 mg/ml).
Hazard Symbols:	T
Risk Codes:	61-20/21/22
Safety:	53-22-36/37/39-45
PSA:	351.15000
LogP:	-2.36630

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Specification

The Tobramycin sulfate, with the CAS registry number 49842-07-1, is also known as (1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside sulfate (salt). It belongs to the product category of Cosmetic Ingredients & Chemicals. Its EINECS registry number is 256-499-2. This chemical's molecular formula is C₁₈H₃₉N₅O₁₃S and molecular weight is 565.59296. Its IUPAC name is called (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid. This chemical's classification codes are Drug / Therapeutic Agent and Human Data.

Physical properties of Tobramycin sulfate: (1)ACD/LogP: -3.41; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -10.19; (4)ACD/LogD (pH 7.4): -8.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 16; (12)Flash Point: 422.8 °C; (13)Enthalpy of Vaporization: 128.66 kJ/mol; (14)Boiling Point: 775.4 °C at 760 mmHg; (15)Vapour Pressure: 9.05E-28 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. This chemical may cause harm to the unborn child. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)[C@@H](O)C[C@H]1N)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
(2)InChI: InChI=1/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
(3)InChIKey: ZEUUPKVZFKBXPW-TWDWGCDDBC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	262mg/kg (262mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Antibiotiki. Vol. 24, Pg. 60, 1979.
mouse	LD50	intravenous	77mg/kg (77mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Antibiotiki. Vol. 24, Pg. 60, 1979.
mouse	LD50	oral	> 10500mg/kg (10500mg/kg)		Antibiotiki. Vol. 24, Pg. 60, 1979.
mouse	LD50	subcutaneous	560mg/kg (560mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Antibiotiki. Vol. 24, Pg. 60, 1979.
rat	LD50	intravenous	126mg/kg (126mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Antibiotiki. Vol. 24, Pg. 60, 1979.
rat	LD50	subcutaneous	1680mg/kg (1680mg/kg)	AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Antibiotiki. Vol. 24, Pg. 60, 1979.
women	LDLo	intravenous	15mg/kg/5D-I (15mg/kg)	BEHAVIORAL: WAKEFULNESS BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"	JAMA, Journal of the American Medical Association. Vol. 247, Pg. 1319, 1982.