Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dehydroemetine [INN:BAN:DCF]
RN: 4914-30-1
UNII: 7S79QT1T91
InChIKey: XXLZPUYGHQWHRN-RPBOFIJWSA-N

Note

  • Amebicide, derivative of emetine.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H38-N2-O4

Molecular Weight

  • 478.6292
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dehydroemetine
  • Dehydroemetine [INN:BAN:DCF]

Synonyms

  • (-)-2,3-Dehydroemetine
  • 2,3-Didehydro-6',7',10,11-tetramethoxyemetan
  • 2,3-Didehydroemetine
  • 2-Dehydroemetine
  • 3-Ethyl-9,10-dimethoxy-1,6,7,11b-tetrahydro-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-4H-benzo(a)quinolizine
  • BT 436
  • CCRIS 4110
  • Dehidroemetina
  • Dehidroemetina [INN-Spanish]
  • Dehydroemetine
  • Dehydroemetinum
  • Dehydroemetinum [INN-Latin]
  • EINECS 225-542-7
  • Emetine, 2,3-dehydro-, (-)-
  • Mebadin
  • NSC 131546
  • Ro 1-9334
  • Ro 1-9334/19
  • UNII-7S79QT1T91

Systematic Names

  • 3-Ethyl-9,10-dimethoxy-1,6,7,11b-tetrahydro-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-4H-benzo(a)quinolizine
  • Dehydroemetine
  • Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy- (9CI)
  • Emetine, 2,3-didehydro-

Registry Numbers

CAS Registry Number

  • 4914-30-1

FDA UNII

  • 7S79QT1T91

System Generated Number

  • 0004914301

Structure Descriptors

InChI

1S/C29H38N2O4/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/t24-,25+/m1/s1

InChIKey

XXLZPUYGHQWHRN-RPBOFIJWSA-N

Smiles

c12[C@H]3[N@@](CC(CC)=C(C3)C[C@@H]3c4c(cc(OC)c(c4)OC)CCN3)CCc1cc(OC)c(c2)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95 deg C   EXP
log P (octanol-water) 5.240 (none)   EST
Atmospheric OH Rate Constant 3.74E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.