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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-(2-furylmethylthio)-3-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol (3:6:2)
RN: 27124-11-4
InChIKey: ZUTQZJCJKVNOCS-JCPWLRNHSA-N

Molecular Formula

  • C37-H50-N2-O6-S.2Cl-H.2/3C3-H8-O

Molecular Weight

  • 723.798
 
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Names and Synonyms

Synonyms

  • 2-Propanol, 1-((2-furanylmethyl)thio)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl
  • Emetine, 2'-(3-(furfurylthio)-2-hydroxypropyl)-, 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-(2-furylmethylthio)-3-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol (3:6:2)

Registry Numbers

CAS Registry Number

  • 27124-11-4

System Generated Number

  • 0027124114

Molecular Formulas

Molecular Formula

  • C37-H50-N2-O6-S.2Cl-H.2/3C3-H8-O

Molecular Formula Fragments

  • C3-H8-O
  • C37-H50-N2-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H50N2O6S.2ClH/c1-6-24-20-38-11-9-25-16-34(41-2)36(43-4)18-30(25)32(38)14-27(24)15-33-31-19-37(44-5)35(42-3)17-26(31)10-12-39(33)21-28(40)22-46-23-29-8-7-13-45-29;;/h7-8,13,16-19,24,27-28,32-33,40H,6,9-12,14-15,20-23H2,1-5H3;2*1H/t24-,27+,28?,32-,33+;;/m0../s1

InChIKey

ZUTQZJCJKVNOCS-JCPWLRNHSA-N

Smiles

C1[N@@]([C@H](C[C@H]2C[C@H]3c4cc(c(cc4CC[N@@]3C[C@@H]2CC)OC)OC)c2cc(c(cc2C1)OC)OC)C[C@@H](CSCc1occc1)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54mg/kg (54mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.