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CS-W001157 4
Total: USD 88.00

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-(8α,9S)-cinchonan-9-ylthiourea

  • CAS No. 890044-38-9

  • Cat. No. CS-0028352
  • Purity≥97%
  • MDL No.None

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-(8α,9S)-cinchonan-9-ylthiourea|CS-0028352

Structure of 890044-38-9

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General Information

  • CAS No. 890044-38-9
  • Cat. No. CS-0028352
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₈H₂₆F₆N₄S
  • Molecular Weight 564.59
  • Synonym(s) Pregabalin 7 (N-[3,5-bis(trifluoromethyl)phenyl]-N'-(8a,9s)-quinine-9-ylthiourea)
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@@H](C2=C(C=CC=C3)C3=NC=C2)[C@@]4(C[C@@H]5CC[N@]4C[C@@H]5C=C)[H]

Safety Information

Download SDS
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   40.19
  • LogP   7.1965
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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