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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)-, dihydrochloride, (+-)-
RN: 83029-37-2
InChIKey: JROGBPMEKVAPEH-GXGBFOEMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N2-O4.2Cl-H

Molecular Weight

  • 553.5668
 
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Names and Synonyms

Synonyms

  • (+-)-Dehydro-2,3-emetine 2HCl
  • (+-)-Dehydro-2,3-emetine 2HCl [French]

Systematic 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)-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 83029-37-2

System Generated Number

  • 0083029372

Molecular Formulas

Molecular Formula

  • C29-H38-N2-O4.2Cl-H

Molecular Formula Fragments

  • C29-H38-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O4.2ClH/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;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24+,25-;;/m0../s1

InChIKey

JROGBPMEKVAPEH-GXGBFOEMSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Farmaco, Edizione Scientifica. Vol. 33, Pg. 237, 1978.