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Substance Name: Deoxyharringtonine
RN: 36804-95-2
InChIKey: WRCBXHDQHPUVHW-KBXBIZAPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H37-N-O8

Molecular Weight

  • 515.5993
 
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Names and Synonyms

Name of Substance

  • Deoxyharringtonine

Synonyms

  • 3(R)-Deoxyharringtonine
  • Deoxyharringtonine
  • Desoxyharringtonin
  • NSC 142196

Systematic Names

  • Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-methylbutyl)butanedioate (ester), (3(R))-
  • Cephalotaxine, 4-methyl-2-hydroxy-2-(3-methylbutyl)butanedioate (ester), (3(R))- (9CI)

Registry Numbers

CAS Registry Number

  • 36804-95-2

System Generated Number

  • 0036804952

Structure Descriptors

InChI

1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25?,27?,28+/m1/s1

InChIKey

WRCBXHDQHPUVHW-KBXBIZAPSA-N

Smiles

C123[C@@H](C(C(=C1)OC)OC(=O)[C@@](CC(=O)OC)(CCC(C)C)O)c1c(cc4c(c1)OCO4)CCN2CCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Ethnopharmacology. Vol. 24, Pg. 1, 1988.
mouse LD50 intravenous 8800ug/kg (8.8mg/kg)   Journal of Ethnopharmacology. Vol. 24, Pg. 1, 1988.