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CS-W001157 4
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(S)-3,5-dichloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dihydroxybenzamide

  • CAS No. 119670-11-0

  • Cat. No. CS-0453711
  • Purity≥98%
  • MDL No.MFCD02179385

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

(S)-3,5-dichloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dihydroxybenzamide|CS-0453711

Structure of 119670-11-0

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General Information

  • CAS No. 119670-11-0
  • Cat. No. CS-0453711
  • Purity ≥98%
  • MDL No. MFCD02179385
  • Storage RT, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈Cl₂N₂O₃
  • Molecular Weight 333.21
  • Synonym(s) Desmethylraclopride
  • SMILES CCN1CCC[C@H]1CNC(C2=C(O)C(Cl)=CC(Cl)=C2O)=O

Synthesis

  • Route1

    References

    • Langer; Dolle; Halldin; Demphel; Vaufrey; Nagren; Lundkvist; Sandell; Crouzel Journal of Labelled Compounds and Radiopharmaceuticals, 1999 , vol. 42, # SUPPL. 1 p. S366-S368

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   72.8
  • LogP   2.6187
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   4

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