MDL 72222

Suppliers

Names

[ CAS No. ]:
40796-97-2

[ Name ]:
MDL 72222

[Synonym ]:
bemesetron
Benesetron
tropyl3,5-dichlorobenzoate
tropine 3,5-dichlorobenzoate
8-methyl-8-azabicyclo<3.2.1>oct-3-yl 3,5-dichlorobenzoate
3-TROPANYL-3,5-DICHLOROBENZOATE
TROPANYL 3,5-DICHLOROBENZOATE

Chemical & Physical Properties

[ Density]:
1.344g/cm3

[ Boiling Point ]:
406.507ºC at 760 mmHg

[ Molecular Formula ]:
C15H17Cl2NO2

[ Molecular Weight ]:
314.20700

[ Flash Point ]:
199.648ºC

[ Exact Mass ]:
313.06400

[ PSA ]:
29.54000

[ LogP ]:
3.71330

[ Index of Refraction ]:
1.597

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG7580000
CHEMICAL NAME :
Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
CAS REGISTRY NUMBER :
40796-97-2
LAST UPDATED :
199806
DATA ITEMS CITED :
4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465

Safety Information

[ Risk Phrases ]:
25

[ Safety Phrases ]:
36

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Precursor

  • 3,5-Dichlorobenzoyl chloride
  • Tropine

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds

  • mdl 72222
  • MDL-29951
  • (-)-mdl 72832
  • MDL 201,404YA
  • MDL 72832 hydrochloride
  • MDL 201012
  • Methyl 1-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrazole-3-carboxylate
  • Methyl 1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylate
  • Methyl 5-fluoro-6-methoxy-1-benzothiophene-2-carboxylate
  • Ethyl 2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
  • 2-[4-(Trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
  • 1-Ethenyl-3-(3,4,5-trimethoxybenzoyl)azepan-2-one
  • 3-(3,4,5-Trimethoxybenzoyl)azepan-2-one
  • 2-(2,6-Dimethylphenyl)cyclohexan-1-ol
  • 2-(2,6-Dimethylphenyl)cyclopentan-1-ol
  • 1-Chloro-4-(3,5-difluorophenylthio)butane
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