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MSDS  : Trigonelline
CAS  : 535-83-1
SYNONYMS  : * Betain nicotinate * Betaine nicotinate * Caffearine * 3-Carboxy-1-methylpyridinium hydroxide inner salt * Coffearin * Coffearine * Gynesine * N-Methylnicotinate * N-Methylnicotinic acid * N'-Methylnicotinic acid * Nicotinic acid N-methylbetaine * Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt * Trigenolline * Trigonellin
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : YF6825000
CHEMICAL NAME : Trigonelline
CAS REGISTRY NUMBER : 535-83-1
BEILSTEIN REFERENCE NO. : 3905114
REFERENCE : 5-22-02-00143 (Beilstein Handbook Reference)
LAST UPDATED : 199712
DATA ITEMS CITED : 3
MOLECULAR FORMULA : C7-H7-N-O2
MOLECULAR WEIGHT : 137.15
WISWESSER LINE NOTATION : T6KJ A1 CVQ &Q
COMPOUND DESCRIPTOR : Mutagen
Natural Product
SYNONYMS/TRADE NAMES :
* Betain nicotinate
* Betaine nicotinate
* Caffearine
* 3-Carboxy-1-methylpyridinium hydroxide inner salt
* Coffearin
* Coffearine
* Gynesine
* N-Methylnicotinate
* N-Methylnicotinic acid
* N'-Methylnicotinic acid
* Nicotinic acid N-methylbetaine
* Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
* Trigenolline
* Trigonellin

*** 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 : 5 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: 210,27,1974

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
(Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04-
Volume(issue)/page/year: 62,19,1946

** MUTATION DATA **

TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Bacteria - Salmonella typhimurium
DOSE/DURATION : 1 mmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 391,171,1997

*** END OF RECORD ***
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