CAS 4678-45-9|Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-

Introduction:Basic information about CAS 4678-45-9|Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameGrayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-
CAS Number4678-45-9Molecular Weight370.48000
Density1.36g/cm3Boiling Point552.6ºC at 760 mmHg
Molecular FormulaC20H34O6Melting Point/
MSDS/Flash Point250.9ºC

Names

NameGrayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)
SynonymMore Synonyms

Chemical & Physical Properties

Density1.36g/cm3
Boiling Point552.6ºC at 760 mmHg
Molecular FormulaC20H34O6
Molecular Weight370.48000
Flash Point250.9ºC
Exact Mass370.23600
PSA121.38000
LogP0.16830
Index of Refraction1.619
InChIKeyBWMFRQKICHXLSH-WSUOOEHKSA-N
SMILESCC1(O)CC23CC(O)C4(O)C(CC(O)C4(C)C)C(C)(O)C2CCC1C3O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB9190000
CHEMICAL NAME :
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)-
CAS REGISTRY NUMBER :
4678-45-9
LAST UPDATED :
199806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H34-O6
MOLECULAR WEIGHT :
370.54
WISWESSER LINE NOTATION :
L E5 B765 A 1B P BXTJ AQ DQ EQ F1 F1 GQ JQ J1 OQ O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
840 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Behavioral - muscle contraction or spasticity
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 35,303,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 44,259,1980

Safety Information

Hazard CodesT
Risk Phrases23/24/25-36/38
Safety PhrasesS22;S26;S45;S36/S37/S39
RIDADRUN 2811 6.1/PG 3
Hazard Class6.1(a)

Synonyms

deacylasebotoxini
andromedol
GRAYANOTOXIN 3.1/2 ETHYL ACETATE ADDUCT
deacetylandromedotoxin
MFCD00285883
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