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CS-W001157 4
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(S)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one (2S,3S)-2,3-bis(benzoyloxy)succinate

  • CAS No. 1622136-46-2

  • Cat. No. CS-M3485
  • Molecule weight560.55
  • Purity≥98%
  • MDL No.None

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

(S)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one (2S,3S)-2,3-bis(benzoyloxy)succinate|CS-M3485

Structure of 1622136-46-2

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General Information

  • CAS No. 1622136-46-2
  • Cat. No. CS-M3485
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₂₈N₂O₉
  • Molecular Weight 560.55
  • Synonym(s) Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (11bS)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
  • SMILES O=C1CNC[C@H]2N1CCC3=C2C=CC=C3.O=C(O)[C@H]([C@@H](C(O)=O)OC(C4=CC=CC=C4)=O)OC(C5=CC=CC=C5)=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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   159.54
  • LogP   2.3224
  • H_Acceptors   8
  • H_Donors   3
  • Rotatable_Bonds   7

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