4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine,dichloride,trihydrate

Names

[ CAS No. ]:
63887-47-8

[ Name ]:
4-methyl-1-[(1E,3E)-5-(4-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine,dichloride,trihydrate

Chemical & Physical Properties

[ Molecular Formula ]:
C34H64Cl2N4O3

[ Molecular Weight ]:
647.80300

[ Exact Mass ]:
646.43600

[ PSA ]:
40.19000

[ LogP ]:
0.21130

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN5985000
CHEMICAL NAME :
Piperidinium, 1-(5-(4-methylpiperidino)-2,4-pentadienylidene)-4-met hyl-, chloride, sesquihydrate
CAS REGISTRY NUMBER :
63887-47-8
LAST UPDATED :
199107
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H29-N2.Cl.3/2H2-O
MOLECULAR WEIGHT :
323.96
WISWESSER LINE NOTATION :
T6NTJ D1& A1U2U2U- AT6KTJ D1 &G &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,806,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,806,1969

Related Compounds

  • (1R,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl acetate
  • N'-trifluoroacetyl lysine methyl ester
  • (1E,6E)-1,7-Bis(3-chloro-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
  • 3-(Azidomethyl)-2-methoxyquinoline
  • 4-(2-Tert-butoxycarbonyl-vinyl)-3-ethyl-5-methyl-benzoic acid benzyl ester
  • Methyl 3-(cyclohex-3-en-1-yl)-3-oxopropanoate
  • (3R,4R)-4-(((Benzyloxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
  • Methyl 8-oxotricyclo[3.2.1.0,2,7]octane-1-carboxylate
  • 1H-Pyrrolo[2,3-c]pyridin-1-amine
  • 2-(2-((2-Amino-2-carboxyethyl)sulfinyl)-1H-imidazol-4-yl)-1-carboxy-N,N,N-trimethylethan-1-aminium
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