![(3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-diMethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic Acid structure, CAS 866186-68-7](/structures/210000/194817_2_866186_68_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 866186-68-7 |
| Catalog No. | 2A-1193243 |
| Chinese Name | 厄他培南USP杂质A |
| Synonyms | Exact Mass 519.131165; PSA 211.36000; LogP 1.35; Index of Refraction 1.694; InChIKey GXFHAVHBDSPPAG-RCSJJZFMSA-N; Synonyms |
| Molecular Formula | C23H25N3O9S |
| Molecular Weight | 519.524 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 831.5±65.0 °C at 760 mmHg |
| PubChem ID | 75416757 |
| SMILES | CC1OC(=O)N2C(C(=O)O)=C(SC3CNC(C(=O)Nc4cccc(C(=O)O)c4)C3)C(C)C2C1C(=O)O |
| InChI | InChI=1S/C23H25N3O9S/c1-9-16-15(21(30)31)10(2)35-23(34)26(16)17(22(32)33)18(9)36-13-7-14(24-8-13)19(27)25-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,24H,7-8H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10+,13+,14+,15-,16-/m1/s1 |
| InChI Key | GXFHAVHBDSPPAG-RCSJJZFMSA-N |
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