8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate
Names
[ CAS No. ]:
500-55-0
[ Name ]:
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate
[Synonym ]:
Apohyoscyamine
atropic acid tropane-3endo-yl ester
Atropamin
Apoatropin
Atropasaeure-tropan-3endo-ylester
Atropyltropeine
Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Propenoic acid, 2-phenyl-, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester
8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate
Apohyoscyamin
Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
Tropine,atropate (ester)
Apoatropine
Atropamine
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
389.1±42.0 °C at 760 mmHg
[ Molecular Formula ]:
C17H21NO2
[ Molecular Weight ]:
271.354
[ Flash Point ]:
136.5±18.8 °C
[ Exact Mass ]:
271.157227
[ PSA ]:
29.54000
[ LogP ]:
3.22
[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C
[ Index of Refraction ]:
1.572
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YM4025000
- CHEMICAL NAME :
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester)
- CAS REGISTRY NUMBER :
- 500-55-0
- BEILSTEIN REFERENCE NO. :
- 0085429
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C17-H21-N-O2
- MOLECULAR WEIGHT :
- 271.39
- WISWESSER LINE NOTATION :
- T56 A ANTJ A1 GOVYR&U1
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 :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,117,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10400 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB85-203644
Safety Information
[ Risk Phrases ]:
26/28
[ RIDADR ]:
UN 1544
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
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%