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Substance Name: Grayanotoxin III
RN: 4678-45-9
UNII: ZKR09NT58C
InChIKey: BWMFRQKICHXLSH-FIRPSQKQSA-N
Note
- From leaves of Leucothoe grayana (Ericaceae).
Classification Code
- Natural Product
Molecular Formula
- C20-H34-O6
Molecular Weight
- 370.4826
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Grayanotoxin III
Synonyms
- Andromedol
- BRN 2059374
- Deacetylandromedotoxin
- Deacylasebotoxin I
- Grayanotoxane-3,5,6,10,14,16-hexol, (3-beta,6-beta,14R)-
- Grayanotoxin III
- NSC 323778
- UNII-ZKR09NT58C
Systematic Names
- (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol
- 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
- Grayanotoxane-3,5,6,10,14,16-hexol, (3beta,6beta,14R)- (9CI)
Registry Numbers
CAS Registry Number
- 4678-45-9
FDA UNII
- ZKR09NT58C
System Generated Number
- 0004678459
Structure Descriptors
InChI
InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1InChIKey
BWMFRQKICHXLSH-FIRPSQKQSA-NSmiles
C[C@@]1(O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | intravenous | 400ug/kg (0.4mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives of Toxicology. Vol. 44, Pg. 259, 1980. |
mouse | LD50 | intraperitoneal | 840mg/kg (840mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 0.27 | (none) | EXP | |
Water Solubility | 2740 | mg/L | 25 | EST |
Vapor Pressure | 5.45E-14 | mm Hg | 25 | EST |
Henry's Law Constant | 1.45E-12 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 9.54E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.