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CS-W001157 4
Total: USD 88.00

(1′R,6R,6aR,7R,13S,14R,16R)-Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2′,3′,4′,6,6a,7,9′,13,14,16-decahydro-8-hydroxy-6′,9-dimethoxy-4,10,23-trimethyl-19-oxo-

  • CAS No. 497871-10-0

  • Cat. No. CS-0127581
  • Purity≥98%
  • MDL No.None

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

(1′R,6R,6aR,7R,13S,14R,16R)-Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2′,3′,4′,6,6a,7,9′,13,14,16-decahydro-8-hydroxy-6′,9-dimethoxy-4,10,23-trimethyl-19-oxo-|CS-0127581

Structure of 497871-10-0

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General Information

  • CAS No. 497871-10-0
  • Cat. No. CS-0127581
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₂H₄₃N₅O₉S
  • Molecular Weight 793.88
  • Synonym(s) Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'-[1H]pyrido[3,4-b]indole]-14-carbonitrile, 5-(acetyloxy)-2',3',4',6,6a,7,9',13,14,16-decahydro-8-hydroxy-6',9-dimethoxy-4,10,23-trimethyl-19-oxo-, (1'R,6R,6aR,7R,13S,14R,16R)- (9CI)
  • SMILES COC1=CC(C(CCN[C@]2(C(OC3)=O)CS[C@@]4([H])[C@]5([H])N([C@@H](C#N)[C@@H]6CC(C=C(C)C(OC)=C7O)=C7[C@H]5N6C)[C@]3([H])C8=C4C(OC(C)=O)=C(C)C9=C8OCO9)=C2N%10)=C%10C=C1

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   167.84
  • LogP   4.76272
  • H_Acceptors   14
  • H_Donors   3
  • Rotatable_Bonds   3

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