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Substance Name: Elatine
RN: 26000-16-8
InChIKey: KOWWOODYPWDWOJ-PIXKQMHVSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C38-H50-N2-O10

Molecular Weight

  • 694.817
 
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Names and Synonyms

Results Name

  • Elatine

Synonyms

  • 20-Ethyl-1,6,14,16-tetramethoxy-7,8-(methylenebis(oxy))aconitane-4-methanol 2-((3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate (ester), (1alpha,6beta,14alpha,16beta)-
  • 4-27-00-06549 (Beilstein Handbook Reference)
  • BRN 0076560
  • Elatin
  • Elatine
  • Elatine (alkaloid)
  • NSC 93136

Systematic Names

  • Aconitane-4-methanol, 2-ethyl-7,8-(methylenebis(oxy)-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate (ester), (1-alpha,6-beta,14-alpha,16-beta)-
  • Aconitane-4-methanol, 20-ethyl-1,6,14,16-tetramethoxy-7,8-(methylenebis(oxy))-, 2-((3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate (ester), (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 26000-16-8

System Generated Number

  • 0026000168

Structure Descriptors

InChI

1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22?,23?,25-,26+,28?,29-,30?,31+,34?,35?,36?,37?,38?/m0/s1

InChIKey

KOWWOODYPWDWOJ-PIXKQMHVSA-N

Smiles

N1(c2c(C(OC[C@@]34[C@@H]5[C@H]([C@@]67[C@@]8([C@@H]9[C@@H](OC)[C@@H]([C@H](C8)OC)C[C@@H]9[C@@]5([C@@H]6[N@@](C4)CC)[C@@H](CC3)OC)OCO7)OC)=O)cccc2)C(C[C@@H](C1=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5mg/kg (5mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.