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4697-66-9,MFCD16036229
Catalog No.:AA00DYUV

4697-66-9 | Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$329.00   $230.00
- +
5mg
≥98%
in stock  
$1,373.00   $961.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DYUV
Chemical Name:
Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-
CAS Number:
4697-66-9
Molecular Formula:
C23H28N2O4
Molecular Weight:
396.4794
MDL Number:
MFCD16036229
SMILES:
CO/C=C(\[C@H]1C[C@@H]2N(C[C@@H]1C=C)CCc1c2[nH]c2c1c(OC)ccc2)/C(=O)OC
Properties
Computed Properties
 
Complexity:
651  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
3.2  

Literature

Title: Synthetic and Receptor Signaling Explorations of the Mitragyna Alkaloids: Mitragynine as an Atypical Molecular Framework for Opioid Receptor Modulators.

Journal: Journal of the American Chemical Society 20160601

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SDS
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Tags:4697-66-9 Molecular Formula|4697-66-9 MDL|4697-66-9 SMILES|4697-66-9 Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-