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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. |