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Substance Name: Scillaren A
RN: 124-99-2
UNII: H92KP5H7C6
InChIKey: NXJOCELNFPGKIV-ARHXXGKOSA-N

Molecular Formula

  • C36-H52-O13

Molecular Weight

  • 692.7938
 
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Names and Synonyms

Name of Substance

  • Scillaren A

Synonyms

  • 14-beta-Hydroxy-3-beta-scillobiosidobufa-4,20,22-trienolide
  • 3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid
  • 3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid [German]
  • 4-18-00-01659 (Beilstein Handbook Reference)
  • BRN 0076216
  • EINECS 204-721-3
  • Glucoproscillaridin A
  • Mannopyranoside, scillarenin-3 6-deoxy-4-O-beta-D-glucopyranosyl-, alpha-L-
  • NSC 7525
  • Scillaglykosid A
  • Scillaglykosid A [German]
  • Scillaren + rhamnose + glucose
  • Scillaren + rhamnose + glucose [German]
  • Scillaren A
  • Transvaalin
  • UNII-H92KP5H7C6

Systematic Names

  • 3beta-((6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4,20,22-trienolide
  • Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-
  • Scillaren A

Registry Numbers

CAS Registry Number

  • 124-99-2

FDA UNII

  • H92KP5H7C6

System Generated Number

  • 0000124992

Structure Descriptors

InChI

1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1

InChIKey

NXJOCELNFPGKIV-ARHXXGKOSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)c6ccc(=O)oc6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 167ug/kg (0.167mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.
cat LDLo oral 5200ug/kg (5.2mg/kg)   Farmacognosia. Vol. 13, Pg. 375, 1953.
cat LDLo unreported 146ug/kg (0.146mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 72, 1963.
guinea pig LDLo intravenous 353ug/kg (0.353mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 252, Pg. 314, 1966.
rat LD50 intravenous 15500ug/kg (15.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 848, 1961.