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Calcium (s)-2-(4-chlorobenzamido)-3-(1h-indol-3-yl)propanoate

  • CAS No. 56116-62-2

  • Cat. No. CS-0514725
  • Molecule weight723.61
  • Purity≥97%
  • MDL No.MFCD00036700

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

Calcium (s)-2-(4-chlorobenzamido)-3-(1h-indol-3-yl)propanoate|CS-0514725

Structure of 56116-62-2

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General Information

  • CAS No. 56116-62-2
  • Cat. No. CS-0514725
  • Purity ≥97%
  • MDL No. MFCD00036700
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₆H₂₈CaCl₂N₄O₆
  • Molecular Weight 723.61
  • Synonym(s) Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)
  • SMILES O=C([O-])[C@@H](NC(C1=CC=C(Cl)C=C1)=O)CC2=CNC3=C2C=CC=C3.O=C([O-])[C@@H](NC(C4=CC=C(Cl)C=C4)=O)CC5=CNC6=C5C=CC=C6.[Ca+2]

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   170.04
  • LogP   3.4438
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   10

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