(E)-Ceftibuten Dihydrate - CAS 97519-40-9
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Catalog Number: R047033
CAS Number: 97519-40-9
PubChem Substance ID:355058784
Molecular Formula: C15H14N4O6S2
Molecular Weight:410.419
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | [6R-[6α,7β(E)]]-7-[[2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Dihydrate; |
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Property
Molecular Formula: | C15H14N4O6S2 |
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Molecular Weight | 410.419 |
Purity | ≥95% |
Storage | -80°C |
Computed Descriptor
IUPAC Name | (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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InChI | InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1+/t10-,13-/m1/s1 |
InChIKey | UNJFKXSSGBWRBZ-VTSZRNMSSA-N |
SMILES | C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O |