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CS-W001157 4
Total: USD 88.00

1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane

  • CAS No. 71089-74-2

  • Cat. No. CS-0551911
  • Purity≥98%
  • MDL No.MFCD00188459

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

1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane|CS-0551911

Structure of 71089-74-2

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General Information

  • CAS No. 71089-74-2
  • Cat. No. CS-0551911
  • Purity ≥98%
  • MDL No. MFCD00188459
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₈H₄₈N₄O₈S₄
  • Molecular Weight 817.07
  • Synonym(s) Plerixafor Impurity 42
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Synthesis

  • Route1
    • Ethane-1,2-diyl bis(4-methylbenzenesulfonate) Plerixafor Impurity|CS-0213943
      6315-52-2
    • null|null
      74676-47-4
    • ~85%
    • 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane|CS-0551911
      71089-74-2

    References

    • Luk'yanenko, N.G.; Basok, S.S.; Filonova, L.K. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, p. 1562 - 1571 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 8 p. 1731 - 1742
  • Route2

    References

    • Meunier, I.; Mishra, A. K.; Hanquet, B.; Cocolios, P.; Guilard, R. Canadian Journal of Chemistry, 1995 , vol. 73, # 5 p. 685 - 695
  • Route3

    References

    • Luk'yanenko, N.G.; Basok, S.S.; Filonova, L.K. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, p. 1562 - 1571 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 8 p. 1731 - 1742

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   149.52
  • LogP   4.77748
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   8

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