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| CAS No.: | 34787-01-4 |
|---|---|
| Name: | Ticarcillin |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C15H16N2O6S2 |
| Molecular Weight: | 384.434 |
| Synonyms: | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-carboxy-3-thienylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- (9CI);6-[D-(-)-α-Carboxy-3-thienylacetamido]penicillanicacid; |
| EINECS: | 252-213-5 |
| Density: | 1.62 g/cm3 |
| Boiling Point: | 768.3 °C at 760 mmHg |
| Flash Point: | 418.4 °C |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 42/43 |
| Safety: | 22-36/37-45 |
| PSA: | 177.55000 |
| LogP: | 0.87680 |
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Specification
The Ticarcillin, with the CAS registry number of 34787-01-4, is also known as (2S,5R,6R)-6-[[(2R)-2-Carboxy-2-thiophen-3-yl-acetyl]amino]-3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3. 2. 0]heptane-2-carboxylic acid and Ticcarcillin acid. Its EINECS registry number is 252-213-5. This chemical's molecular formula is C15H16N2O6S2 and molecular weight is 384.43. What's more, its IUPAC name is (2S, 5R, 6R)-6-[[(2R)-3-Hydroxy-3-oxo-2-thiophen-3-ylpropanoyl]amino]-3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3. 2. 0]heptane-2-carboxylic acid. This chemical's classification codes are Anti-Bacterial Agents; Anti-Infective Agents. Ticarcillin is a carboxypenicillin. It is almost invariably sold and used in combination with clavulanate as Timentin. Because it is a penicillin, it also falls within the larger class of beta-lactam antibiotics. Besides, it should be stored at 2-8 °C.
Physical properties about Ticarcillin are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.02; (4)ACD/LogD (pH 7.4): -4.06; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 146.76 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 90.74 cm3; (15)Molar Volume: 236.4 cm3; (16)Polarizability: 35.97×10-24 cm3; (17)Surface Tension: 86 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 418.4 °C; (20)Enthalpy of Vaporization: 117.35 kJ/mol; (21)Boiling Point: 768.3 °C at 760 mmHg; (22)Vapour Pressure: 7.97E-25 mmHg at 25 °C.
Uses: Its main clinical use is as an injectable antibiotic for the treatment of gram-negative bacteria, in particular, Pseudomonas aeruginosa. In molecular biology, ticarcillin is used to as an alternative to ampicillin to test the uptake of marker genes into bacteria. It prevents the appearance of satellite colonies that occur when ampicillin breaks down in the media. It is also used in plant molecular biology to kill agrobacterium, which is used to deliver genes to plant cells.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by inhalation and skin contact. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing and gloves. 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=C(O)C2N3C(=O)C(NC(=O)C(c1ccsc1)C(=O)O)C3SC2(C)C
(2) InChI: InChI=1/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)
(3) InChIKey: OHKOGUYZJXTSFX-UHFFFAOYAM