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Technology Process of (S)-autumnaline

(S)-autumnaline

Base Information
  • Chemical Name:(S)-autumnaline
  • CAS No.:23068-65-7
  • Molecular Formula:C21H27 N O5
  • Molecular Weight:373.44
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50551719
  • Nikkaji Number:J16.287F
  • Wikidata:Q27149714
  • Mol file:23068-65-7.mol
(S)-autumnaline

Synonyms:(S)-autumnaline;23068-65-7;(1S)-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;Autumnaline;CHEBI:80672;DTXSID50551719;Q27149714;(1S)-1-[2-(3-Hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

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Chemical Property of (S)-autumnaline
Chemical Property:
  • PSA：71.39000 
  • LogP:3.22330 
  • XLogP3:3.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:6
  • Exact Mass:373.18892296
  • Heavy Atom Count:27
  • Complexity:464
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C(=C3)OC)OC)O)O)OC
  • Isomeric SMILES:CN1CCC2=CC(=C(C=C2[C@@H]1CCC3=CC(=C(C(=C3)OC)OC)O)O)OC
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