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Substance Name: Isopropylideneproscillaridin
RN: 21590-25-0
InChIKey: DHXYKQBZTQTODL-LJSSCIMDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H46-O8

Molecular Weight

  • 570.7184
 
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Names and Synonyms

Results Name

  • Isopropylideneproscillaridin

Synonyms

  • 3-beta-(2,3-O-Isopropylidenrhamnosido)-14-beta-hydroxy-4,20,22-bufatrienolid
  • 3-beta-(2,3-O-Isopropylidenrhamnosido)-14-beta-hydroxy-4,20,22-bufatrienolid [German]
  • Isopropyliden-proscillaridin
  • Isopropyliden-proscillaridin [German]
  • Isopropylideneproscillaridin
  • Proscillaridine 2',3'-acetonide
  • Proscillaridrin, isopropylidene-

Systematic Names

  • Bufa-4,20,22-trienolide, 3-((6-deoxy-2,3-O-(1-methylethylidene)-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3beta)-
  • Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranosyl)oxy)-14-hydroxy-

Registry Numbers

CAS Registry Number

  • 21590-25-0

System Generated Number

  • 0021590250

Structure Descriptors

InChI

1S/C33H46O8/c1-18-26(35)27-28(41-30(2,3)40-27)29(38-18)39-21-10-13-31(4)20(16-21)7-8-24-23(31)11-14-32(5)22(12-15-33(24,32)36)19-6-9-25(34)37-17-19/h6,9,16-18,21-24,26-29,35-36H,7-8,10-15H2,1-5H3/t18?,21-,22+,23?,24?,26+,27?,28?,29+,31-,32+,33-/m0/s1

InChIKey

DHXYKQBZTQTODL-LJSSCIMDSA-N

Smiles

CC1O[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)C6=COC(=O)C=C6)C7OC(C)(C)OC7[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 176ug/kg (0.176mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1, 1970.
cat LD50 oral 219ug/kg (0.219mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1, 1970.
guinea pig LD50 intravenous 327ug/kg (0.327mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1, 1970.
rat LD50 intravenous 612ug/kg (0.612mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1, 1970.
rat LD50 oral 2660ug/kg (2.66mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1, 1970.