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Substance Name: 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(o-anisyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride
RN: 26987-96-2
InChIKey: DXMLXEIHVKENSC-YBUDBYFWSA-N

Molecular Formula

  • C39-H52-N2-O7.2Cl-H

Molecular Weight

  • 733.769
 
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Names and Synonyms

Synonyms

  • 2-Propanol, 1-(2-methoxyphenoxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl
  • Emetine, 2'-(2-hydroxy-3-(o-methoxyphenoxy)propyl)-, dihydrochloride

Systematic Name

  • 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(o-anisyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 26987-96-2

System Generated Number

  • 0026987962

Molecular Formulas

Molecular Formula

  • C39-H52-N2-O7.2Cl-H

Molecular Formula Fragments

  • C39-H52-N2-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C39H52N2O7.2ClH/c1-7-25-22-40-14-12-26-18-36(44-3)38(46-5)20-30(26)32(40)16-28(25)17-33-31-21-39(47-6)37(45-4)19-27(31)13-15-41(33)23-29(42)24-48-35-11-9-8-10-34(35)43-2;;/h8-11,18-21,25,28-29,32-33,42H,7,12-17,22-24H2,1-6H3;2*1H/t25-,28+,29?,32-,33?;;/m0../s1

InChIKey

DXMLXEIHVKENSC-YBUDBYFWSA-N

Smiles

Cl.Cl.c12cc(OC)c(OC)cc2CC[N@@](C[C@@H](O)COc2ccccc2OC)[C@@H]1C[C@@H]1[C@H](C[N@@]2[C@@H](C1)c1cc(OC)c(cc1CC2)OC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9mg/kg (9mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.