diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride

Names

[ CAS No. ]:
63957-56-2

[ Name ]:
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride

[Synonym ]:
Banthine chloride

Chemical & Physical Properties

[ Molecular Formula ]:
C21H26ClNO3

[ Molecular Weight ]:
375.88900

[ Exact Mass ]:
375.16000

[ PSA ]:
35.53000

[ LogP ]:
0.95780

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BP7640000
CHEMICAL NAME :
Ammonium, diethyl(2-hydroxyethyl)methyl-, chloride, xanthene-9-carboxylate
CAS REGISTRY NUMBER :
63957-56-2
LAST UPDATED :
199012
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C21-H26-N-O3.Cl
MOLECULAR WEIGHT :
375.93
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO2K2&2&1 &Q &G

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 :
1360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,245,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
333 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,245,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,245,1950

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 3-(Methylamino)-1-(thiophen-3-yl)propan-1-one
  • 1-(Ethylamino)pent-4-en-2-one
  • 1-(Piperidin-3-yl)but-3-yn-2-one
  • 1-Amino-5-cyclopropyl-2-methylpentan-3-one
  • 3-Amino-1-(furan-2-yl)-2-methylpropan-1-one
  • 2-Amino-1-cyclopropyl-4-methoxybutan-1-one
  • 1-Cyclopropyl-2-(ethylamino)-2-methylpropan-1-one
  • 1-(Pyrrolidin-3-yl)but-3-en-1-one
  • 1-(1-Aminocyclopropyl)pentan-1-one
  • 3-(Aminomethyl)-1-cyclopropylpentan-2-one
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