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Substance Name: 2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, oxalate, (+-)
RN: 101077-19-4
InChIKey: WXICOPRXDAXRTE-MRFSYGAJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N2-O4.C2-H2-O4

Molecular Weight

  • 570.6788
 
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Names and Synonyms

Synonyms

  • (+-)-Dehydro-2,3 isoemetine, oxalate
  • (+-)-Dehydro-2,3 isoemetine, oxalate [French]
  • (1'-beta)-6',7',10,11-Tetramethoxyemetan oxalate

Systematic Names

  • 2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, oxalate, (+-)
  • Emetan, 6',7',10,11-tetramethoxy-, oxalate, (1'-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 101077-19-4

System Generated Number

  • 0101077194

Molecular Formulas

Molecular Formula

  • C29-H38-N2-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C29-H38-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O4.C2H2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;3-1(4)2(5)6/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;(H,3,4)(H,5,6)/t18-,21-,24+,25-;/m0./s1

InChIKey

WXICOPRXDAXRTE-MRFSYGAJSA-N

Smiles

CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Farmaco, Edizione Scientifica. Vol. 33, Pg. 237, 1978.