N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide

Names

[ CAS No. ]:
5853-05-4

[ Name ]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide

[Synonym ]:
n-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide

Chemical & Physical Properties

[ Molecular Formula ]:
C22H25NO4

[ Molecular Weight ]:
367.43800

[ Exact Mass ]:
367.17800

[ PSA ]:
67.79000

[ LogP ]:
3.18960

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA4900000
CHEMICAL NAME :
Cytisinium, N,N-dimethyl-, iodide
CAS REGISTRY NUMBER :
5853-05-4
LAST UPDATED :
199112
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H19-N2-O.I
MOLECULAR WEIGHT :
346.24
WISWESSER LINE NOTATION :
T C666 A GVN LK&TTJ L1 L1 &Q &I

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 :
>2770 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
REFERENCE :
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>692 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
REFERENCE :
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
61 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)
REFERENCE :
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969

Related Compounds

  • 3-(1-Fluorocyclobutyl)benzaldehyde
  • Cyclohexaneethanol, 3-(difluoromethyl)-
  • 3-Benzofuranmethanol, I+/--ethyl-2-methyl-
  • 2-{[(Tert-butoxy)carbonyl]amino}-3-(1-methylpyrrolidin-2-yl)propanoic acid
  • N-[(5-bromo-2-nitrophenyl)methyl]cyclohexanamine
  • methyl (3R)-1-(4-aminophenyl)pyrrolidine-3-carboxylate
  • 3-(Furan-3-yl)-2,2-dimethylpropan-1-ol
  • tert-butyl N-[3-(1-aminopropan-2-yl)-4-fluorophenyl]carbamate
  • tert-butyl N-[3-(2-aminopropan-2-yl)-4-fluorophenyl]carbamate
  • Tert-butyl 4-{[1-(methylamino)cyclopropyl]methyl}piperidine-1-carboxylate
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