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Tobramycin sulfate

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Name

Tobramycin sulfate

EINECS 256-499-2
CAS No. 49842-07-1 Density 1.52g/cm3
PSA 351.15000 LogP -2.36630
Solubility Soluble in water (50 mg/ml). Melting Point N/A
Formula C18H37N5O9.H2O4S Boiling Point 775.4 °C at 760 mmHg
Molecular Weight 565.599 Flash Point 422.8 °C
Transport Information N/A Appearance N/A
Safety 53-22-36/37/39-45 Risk Codes 61-20/21/22
Molecular Structure Molecular Structure of 49842-07-1 (Tobramycin sulfate) Hazard Symbols ToxicT
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;

 

Tobramycin sulfate 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.

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