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Substance Name: 2'-(2-Hydroxy-3-(4-methyl-1-piperazinyl)propyl)emetine 4HCl
RN: 31456-30-1
InChIKey: LOLFMTWOSKPZSJ-YNKDXIQBSA-N

Molecular Formula

  • C37-H56-N4-O5.4Cl-H

Molecular Weight

  • 782.716
 
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Names and Synonyms

Results Name

  • 2'-(2-Hydroxy-3-(4-methyl-1-piperazinyl)propyl)emetine 4HCl

Synonyms

  • 2-Propanol, 1-(4-methyl-1-piperazinyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 4HCl
  • Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride

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-(2-hydroxy-3-(4-methylpiperazinyl)propyl)-1-isoquinolyl)methyl)-, tetrahydrochloride

Registry Numbers

CAS Registry Number

  • 31456-30-1

Other Registry Number

  • 26988-02-3

System Generated Number

  • 0031456301

Molecular Formulas

Molecular Formula

  • C37-H56-N4-O5.4Cl-H

Molecular Formula Fragments

  • C37-H56-N4-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H56N4O5.4ClH/c1-7-25-22-40-10-8-26-18-34(43-3)36(45-5)20-30(26)32(40)16-28(25)17-33-31-21-37(46-6)35(44-4)19-27(31)9-11-41(33)24-29(42)23-39-14-12-38(2)13-15-39;;;;/h18-21,25,28-29,32-33,42H,7-17,22-24H2,1-6H3;4*1H/t25-,28+,29?,32-,33+;;;;/m0..../s1

InChIKey

LOLFMTWOSKPZSJ-YNKDXIQBSA-N

Smiles

C1N(C)CCN(C[C@@H](O)C[N@@]2[C@@H](c3c(CC2)cc(c(c3)OC)OC)C[C@H]2C[C@@H]3[N@@](C[C@@H]2CC)CCc2c3cc(c(c2)OC)OC)C1.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.