*** 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 ***