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Substance Name: Scilliroside
RN: 507-60-8
UNII: 2815004NHO
InChIKey: LSMIOFMZNVEEBR-ICLSSMQGSA-N

Classification Codes

  • Agricultural Chemical
  • Human Data
  • Natural Product
  • Rodenticide

Molecular Formula

  • C32-H44-O12

Molecular Weight

  • 620.6876
 
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Names and Synonyms

Name of Substance

  • Scilliroside

Synonyms

  • (3-beta,6-beta)scilliroside
  • (3beta,6beta)-6-(Acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide (9CI)
  • 3-beta,6-beta-6-acetyloxy-3-(beta-d-glocopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • 3-beta,6-beta-6-Acetyloxy-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • 3beta-(beta-D-Glucopyropyanosyloxy)-6beta,8,14-trihydroxybufa-4,20,22-trienolide 6-accetate (8CI)
  • 4-18-00-03178 (Beilstein Handbook Reference)
  • 6-beta-(Acetyloxy)-3-beta-(beta-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • 6-beta-6-(acetyloxy)-3-beta-(beta-d-glocopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • BRN 0074900
  • Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-
  • Caswell No. 722
  • EINECS 208-077-4
  • EPA Pesticide Chemical Code 070801
  • HSDB 6733
  • NSC 7523
  • Red Squill
  • Scillirosan
  • Scillirosid
  • Scilliroside
  • Scilliroside, (3beta,6beta)-
  • Scillirosidin + glucose
  • Scillirosidin + glucose [German]
  • Silmine
  • Silmurin
  • Squill
  • UNII-2815004NHO

Systematic Names

  • 6beta-(Acetyloxy)-3-beta-(beta-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • 6beta-Acetoxy-3beta(beta-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
  • Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-, (3beta,6beta)-
  • Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-, (3beta,6beta)- (9CI)
  • Scilliroside (8CI)
  • Scilliroside, (3-beta,6-beta)-

Superlist Name

  • Scilliroside

Registry Numbers

CAS Registry Number

  • 507-60-8

FDA UNII

  • 2815004NHO

Other Registry Numbers

  • 11017-26-8
  • 1329-65-3
  • 28932-86-7
  • 35-98-3

System Generated Number

  • 0000507608

Structure Descriptors

InChI

1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1

InChIKey

LSMIOFMZNVEEBR-ICLSSMQGSA-N

Smiles

[C@]12([C@]3([C@@H]([C@@]4(C(=C[C@H](CC4)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)[C@@H](C3)OC(=O)C)C)CC[C@@]1([C@H](CC2)c1ccc(=O)oc1)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 130ug/kg (0.13mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 420, 1951.
cat LDLo oral 800mg/kg (800mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 189, 1976.
chicken LD50 oral 400mg/kg (400mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
dog LDLo oral 1500mg/kg (1500mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 189, 1976.
human LDLo oral 100mg/kg (100mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 189, 1976.
mouse LD50 oral 350ug/kg (0.35mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 17, 1989.
mouse LD50 subcutaneous 471ug/kg (0.471mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 391, 1952.
mouse LD50 unreported 500ug/kg (0.5mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 397, 1979.
pig LDLo oral 417mg/kg (417mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 189, 1976.
rat LD50 oral 430ug/kg (0.43mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 466, 1973.
rat LD50 unreported 800ug/kg (0.8mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 397, 1979.
rat LDLo intravenous 1250ug/kg (1.25mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 15, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 169 deg C   EXP
log P (octanol-water) -0.980 (none)   EST
Atmospheric OH Rate Constant 2.61E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.