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MSDS  : Lupulone
CAS  : 468-28-0
SYNONYMS  : * B'' -Acid * beta-Bitter acid * 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)- * 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4 -cyclohexadien-1-one * beta-Lupulic acid * Lupulon
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : OK5950000
CHEMICAL NAME : Lupulone
CAS REGISTRY NUMBER : 468-28-0
LAST UPDATED : 199309
DATA ITEMS CITED : 7
MOLECULAR FORMULA : C26-H38-O4
MOLECULAR WEIGHT : 414.64
WISWESSER LINE NOTATION : L6V BHJ B2UY1&1 B2UY1&1 CQ DV1Y1&1 EQ F2UY1&1
COMPOUND DESCRIPTOR : Natural Product
SYNONYMS/TRADE NAMES :
* B'' -Acid
* beta-Bitter acid
* 2,4-Cyclohexadien-1-one,
3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-
* 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4
-cyclohexadien-1-one
* beta-Lupulic acid
* Lupulon

*** HEALTH HAZARD DATA ***

** ACUTE TOXICITY DATA **

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 100 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 17,79,1967

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intramuscular
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 330 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 8,281,1949

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 525 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
Behavioral - excitement
Lungs, Thorax, or Respiration - other changes
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 17,79,1967

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca
Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),39,1982

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intramuscular
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 600 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 8,281,1949

TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rabbit
DOSE/DURATION : 1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 82,1,1950

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - guinea pig
DOSE/DURATION : 130 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 8,281,1949

*** END OF RECORD ***
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