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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:43, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 464205168 of page A-86929 for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:43, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464205168 of page A-86929 for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 464205168 of page A-86929 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 9,10-Dihydroxy-2-propyl-4,5,5a(R),6,7,11b(S)-hexahydrobenzothienoquinoline
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1Key: REHAKLRYABHSQJ-KDOFPFPSSA-N
  • InChI=1/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1Key: REHAKLRYABHSQJ-KDOFPFPSBO
SMILES
  • Oc1cc3c(cc1O)CCC4C3c2cc(CCC)sc2CN4
Properties
Chemical formula C18H21NO2S
Molar mass 315.429 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound