2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide

Modify Date: 2024-04-06 13:44:43

2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide Structure
2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide structure
 Common Name 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide
CAS Number 26058-55-9 Molecular Weight 453.43600
Density N/A Boiling Point N/A
Molecular Formula C21H29BrN2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C21H29BrN2O2S
Molecular Weight 453.43600
Exact Mass 452.11300
PSA 68.78000
LogP 0.03570
InChIKey OJNCFUCHMPHGBE-UHFFFAOYSA-M
SMILES CN(CC[N+]1(C)CCCCC1)C(=O)C(O)(c1ccccc1)c1cccs1.[Br-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN5880000
CHEMICAL NAME :
Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiophene acetamido) ethyl)-1-methyl-, bromide
CAS REGISTRY NUMBER :
26058-55-9
LAST UPDATED :
199007
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H29-N2-O2-S.Br
MOLECULAR WEIGHT :
453.49
WISWESSER LINE NOTATION :
T6KTJ A1 A2N1&VXQR&- BT5SJ &E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
168 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 7,14,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
26 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 7,14,1972

 Synonyms

FC 117
1-(2-{[hydroxy(phenyl)thiophen-2-ylacetyl](methyl)amino}ethyl)-1-methylpiperidinium bromide
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Chemsrc provides CAS#:26058-55-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide>> amp version: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide,bromide

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