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CS-W001157 4
Total: USD 88.00

2-(2-(6-(tert-Butyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)acetic acid Acemetacin Impurity

  • CAS No. 76812-64-1

  • Cat. No. CS-0531429
  • Molecule weight471.93
  • Purity≥98%
  • MDL No.None

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

2-(2-(6-(tert-Butyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)acetic acid Acemetacin Impurity|CS-0531429

Structure of 76812-64-1

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General Information

  • CAS No. 76812-64-1
  • Cat. No. CS-0531429
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₅H₂₆ClNO₆
  • Molecular Weight 471.93
  • Synonym(s) Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
  • SMILES O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   94.83
  • LogP   4.76802
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   6

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