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Substance Name: Pachygenin
RN: 546-04-3
InChIKey: FDFUXGSOHNJEAN-ZXIOEMQNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C23-H30-O5

Molecular Weight

  • 386.485
 
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Names and Synonyms

Name of Substance

  • Pachygenin

Synonyms

  • 3-beta,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide
  • 4-18-00-02585 (Beilstein Handbook Reference)
  • BRN 0057838
  • delta(sup 5)-Anhydrostrophanthidin
  • Pachygenin
  • Strophanthidin, 5-anhydro-

Systematic Name

  • Carda-5,20(22)-dienolide, 3-beta,14-dihydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 546-04-3

System Generated Number

  • 0000546043

Structure Descriptors

InChI

1S/C23H30O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h2,10,13,16-19,25,27H,3-9,11-12H2,1H3/t16-,17+,18-,19+,21+,22+,23-/m0/s1

InChIKey

FDFUXGSOHNJEAN-ZXIOEMQNSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 1930ug/kg (1.93mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 140, Pg. 8, 1962.