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Substance Name: Dehydroemetine dihydrochloride
RN: 2228-39-9
UNII: 6Y45FL9GWY
InChIKey: WNJZDNXVVDNPSI-FJEGXLQFSA-N

Molecular Formula

  • C29-H38-N2-O4.2Cl-H

Molecular Weight

  • 551.551
 
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Names and Synonyms

Name of Substance

  • Dehydroemetine dihydrochloride

Synonyms

  • (+-)-2,3-Dehydroemetine dihydrochloride
  • (+-)-2,3-Didehydroemetine dihydrochloride
  • (+-)-Dehydro-2,3-emetine dichlorhydrate
  • (+-)-Dehydro-2,3-emetine dichlorhydrate [French]
  • EINECS 218-766-1
  • NSC 129414
  • UNII-6Y45FL9GWY

Systematic Names

  • Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride
  • Emetine, 2,3-didehydro-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 2228-39-9

FDA UNII

  • 6Y45FL9GWY

System Generated Number

  • 0002228399

Molecular Formulas

Molecular Formula

  • C29-H38-N2-O4.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C29H38N2O4.2ClH/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;;/h13-16,24-25,30H,6-12,17H2,1-5H3;2*1H/t24-,25+;;/m1../s1

InChIKey

WNJZDNXVVDNPSI-FJEGXLQFSA-N

Smiles

CCC1=C(C[C@H]2c3cc(c(cc3CCN2C1)OC)OC)C[C@@H]4c5cc(c(cc5CCN4)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55200ug/kg (55.2mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,