[(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

Modify Date: 2025-09-04 20:31:59

[(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate Structure
[(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate structure
 Common Name [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
CAS Number 64471-16-5 Molecular Weight 357.46700
Density 1.29g/cm3 Boiling Point 507.2ºC at 760mmHg
Molecular Formula C20H23NO3S Melting Point N/A
MSDS N/A Flash Point 260.5ºC

 Names

Name [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 507.2ºC at 760mmHg
Molecular Formula C20H23NO3S
Molecular Weight 357.46700
Flash Point 260.5ºC
Exact Mass 357.14000
PSA 78.01000
LogP 3.09030
Index of Refraction 1.638
InChIKey XGVQNYKSWMAKQT-PFRQMTDMSA-N
SMILES CN1C2CCC(OC(=O)C(O)(c3ccccc3)c3cccs3)C1CC2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM6010000
CHEMICAL NAME :
(+)-2-alpha-Tropan-2-ol, (+)-2-phenyl-2-(2-thienyl)glycolate
CAS REGISTRY NUMBER :
64471-16-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H23-N-O3-S
MOLECULAR WEIGHT :
357.50
WISWESSER LINE NOTATION :
T56 A ANTJ A1 FOVXQR&- BT5SJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1612,1977
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Chemsrc provides CAS#:64471-16-5 MSDS, density, melting point, boiling point, structure, etc. Its name is [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate>> amp version: [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

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