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Substance Name: Isoretuline
RN: 10388-62-2
InChIKey: IJTKEUDLEABZCZ-HJAREDSQSA-N

Note

  • From Strychnos henningsii.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H26-N2-O2

Molecular Weight

  • 338.448
 
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Names and Synonyms

Name of Substance

  • Isoretuline

Synonym

  • Isoretuline

Systematic Names

  • 16-Isoretuline (7CI,8CI)
  • Curan-17-ol, 1-acetyl-19,20-didehydro-, (19E)-

Registry Numbers

CAS Registry Number

  • 10388-62-2

System Generated Number

  • 0010388622

Structure Descriptors

InChI

1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3-/t15-,16+,19-,20-,21?/m0/s1

InChIKey

IJTKEUDLEABZCZ-HJAREDSQSA-N

Smiles

O=C(N1[C@@H]2[C@@]3(CC[N@@]4[C@H]3C[C@H](\C(C4)=C/C)[C@H]2CO)c2ccccc12)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   Journal of Ethnopharmacology. Vol. 34, Pg. 261, 1991.
mouse LD50 oral 325mg/kg (325mg/kg)   Journal of Ethnopharmacology. Vol. 34, Pg. 261, 1991.