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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:39, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 477049904 of page 7-Hydroxymitragynine for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:39, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 477049904 of page 7-Hydroxymitragynine for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 477049904 of page 7-Hydroxymitragynine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo, Kekulé, skeletal formula of 7-hydroxymitragynine with an explicit hydrogen added
Names
IUPAC name (αE,2S,3S,7aS,12bS)-3-Ethyl-1,2,3,4,6,7,7a,12b-octahydro-7a-hydroxy-8-methoxy-α-(methoxymethylene)indoloquinolizine-2-acetic acid methyl ester
Other names 7α-Hydroxy-7H-mitragynine; 9-Methoxycorynantheidine hydroxyindolenine
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1Key: RYENLSMHLCNXJT-CYXFISRXSA-N
SMILES
  • CC1CN2CC3(O)C(=Nc4cccc(OC)c34)2C1\C(=C/OC)C(=O)OC
  • CC1CN2CC3(O)C(=NC4=CC=CC(OC)=C34)2C1\C(=C/OC)C(=O)OC
Properties
Chemical formula C23H30N2O5
Molar mass 414.502 g·mol
log P 1.266
Acidity (pKa) 12.203
Basicity (pKb) 1.794
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound
  1. ^ Chemical Abstracts Service: Columbus, OH, 2004; RN 174418-82-7 (accessed via SciFinder Scholar, version 2007.3; November 30, 2011)