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Page 609
>> Quinacillin
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| Name |
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Quinacillin |
| Synonyms |
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3-[[[(2S,5R,6R)-2-Carboxy-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptan-6-Yl]Amino]-Oxomethyl]-2-Quinoxalinecarboxylic Acid; 3-[[(2S,5R,6R)-2-Carboxy-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptan-6-Yl]Carbamoyl]Quinoxaline-2-Carboxylic Acid; (2S,5R,6R)-6-(3-Carboxy-2-Chinoxalinylcarboxamido)-3,3-Dimethyl-7-Oxo-4-Thia-Azabicyclo(3.2.0)Heptan-2-Carbonsaeure |
| Molecular Formula |
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C18H16N4O6S |
| Molecular Weight |
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416.41 |
| CAS Registry Number |
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1596-63-0 |
| EINECS |
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216-481-7 |
| SMILES |
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[C@H]14N(C(=O)[C@H]1NC(C3=C(N=C2C=CC=CC2=N3)C(O)=O)=O)[C@@H](C(O)=O)C(S4)(C)C |
| InChI |
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1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1 |
| InChIKey |
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GPMSLJIYNWBYEL-TYNCELHUSA-N |
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Properties
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Desity |
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1.7±0.1g/cm3 (Cal.) |
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Boiling point |
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781.4±60.0°C at 760 mmHg (Cal.) |
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Flash point |
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426.4±32.9°C (Cal.) |
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