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CS-W001157 4
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4-Methoxybenzyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

  • CAS No. 113479-65-5

  • Cat. No. CS-W018897
  • Purity≥94%
  • MDL No.MFCD00191255

*For research and further manufacturing use only, not for direct human use.

4-Methoxybenzyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride|CS-W018897

Structure of 113479-65-5

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General Information

  • CAS No. 113479-65-5
  • Cat. No. CS-W018897
  • Purity ≥94%
  • MDL No. MFCD00191255
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₈Cl₂N₂O₄S
  • Molecular Weight 405.30
  • Synonym(s) 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride
  • SMILES O=C(C(N12)=C(CCl)CS[C@]2([H])[C@H](N)C1=O)OCC3=CC=C(OC)C=C3.[H]Cl

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 28, # 24 p. 2745 - 2746

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H317-H334
Precautionary Statements : P261-P272-P280-P284-P302+P352-P304+P340-P362+P364-P501

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Computational Chemistry Data

  • TPSA   81.86
  • LogP   1.8955
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   5

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