MDL 72222

Suppliers

Names

[ 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

Click to get detail 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

Click to get detail 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
2-(2-phenyl-1H-indol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
5-bromo-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide
4,5-Dibromo-N-(1-(pyridin-3-yl)ethyl)thiophene-2-carboxamide
[(1-Cyano-1,2-dimethylpropyl)carbamoyl]methyl 2-hydroxy-3,5-bis(propan-2-yl)benzoate
8-[(3-Fluoro-4-methoxyphenyl)methoxy]-2-methylquinoline
1-(2-phenylethenesulfonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
4-[1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]oxybenzonitrile
6-Amino-1-cyclopropyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
5-Fluoro-2-(pyridin-3-yl)phenol
1-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-morpholinoethanone

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