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Substance Name: 2'-(2-Hydroxy-3-piperidinopropyl)emetine tri-HCl
RN: 26988-00-1
InChIKey: PMCGBJXDRUOCKW-DDLKYBQASA-N

Molecular Formula

  • C37-H55-N3-O5.3Cl-H

Molecular Weight

  • 731.24
 
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Names and Synonyms

Results Name

  • 2'-(2-Hydroxy-3-piperidinopropyl)emetine tri-HCl

Synonym

  • 2-Propanol, 1-(1-piperidinyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride

Systematic Names

  • 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-piperidinopropyl)-1-isoquinolyl)methyl)-, trihydrochloride, hemiisopropanol
  • Emetine, 2'-(2-hydroxy-3-piperidinopropyl)-, trihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 26988-00-1

System Generated Number

  • 0026988001

Molecular Formulas

Molecular Formula

  • C37-H55-N3-O5.3Cl-H

Molecular Formula Fragments

  • C37-H55-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H55N3O5.3ClH/c1-6-25-22-39-14-10-26-18-34(42-2)36(44-4)20-30(26)32(39)16-28(25)17-33-31-21-37(45-5)35(43-3)19-27(31)11-15-40(33)24-29(41)23-38-12-8-7-9-13-38;;;/h18-21,25,28-29,32-33,41H,6-17,22-24H2,1-5H3;3*1H/t25-,28+,29?,32-,33+;;;/m0.../s1

InChIKey

PMCGBJXDRUOCKW-DDLKYBQASA-N

Smiles

c12[C@@H](C[C@@H]3[C@H](C[N@@]4[C@@H](c5cc(OC)c(cc5CC4)OC)C3)CC)[N@@](C[C@@H](O)CN3CCCCC3)CCc1cc(c(OC)c2)OC.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.