Name: Piperidinium,1-ethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)
SKU: 125-51-9

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Basic Information

Molecular Structure:
CAS No.:	125-51-9
Name:	Piperidinium,1-ethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)

Formula:	C22H28 N O3 . Br
Molecular Weight:	434.373
Synonyms:	1-Ethyl-3-hydroxy-1-methylpiperidiniumbromide benzilate (6CI,7CI); Piperidinium,1-ethyl-3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide (9CI); Piperidinium,1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate (8CI); Benzilic acid, esterwith 1-ethyl-3-hydroxy-1-methylpiperidinium bromide (8CI); Babytal; JB 323;N-Ethyl-3-piperidyl benzilate methobromide; NSC 4347; Pibenzolone bromide;Pipenzolate bromide; Pipenzolate methobromide; Piper; Piptal; Piptal (tablet);Piptalake; QPB
EINECS:	204-741-2
Density:	g/cm³
Melting Point:	179-180°
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Appearance:	White Powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Br⁻ and NO_x. See also ESTERS.
PSA:	46.53000
LogP:	0.05740

Synthetic route

: 74-83-9
methyl bromide

(+-)-1-ethyl-3-benziloyloxy-piperidine: (+-)-1-ethyl-3-benziloyloxy-piperidine

: 125-51-9
pipenzolate bromide

Conditions

Conditions	Yield
With ethanol

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Chemistry

Product Name: Piptal (CAS NO.125-51-9)

Molecular Formula: C₂₂H₂₈BrNO₃
Molecular Weight: 434.37g/mol
Mol File: 125-51-9.mol
Einecs: 204-741-2
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Piptal (CAS NO.125-51-9):
IUPAC Name: (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
bromide
Canonical SMILES: CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
InChI: InChI=1S/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1
InChIKey: XEDCWWFPZMHXCM-UHFFFAOYSA-M

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	20mg/kg (20mg/kg)	VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Journal of Pharmacology and Experimental Therapeutics. Vol. 112, Pg. 64, 1954.
guinea pig	LD50	intravenous	22mg/kg (22mg/kg)		Compilation of LD50 Values of New Drugs.
guinea pig	LD50	oral	> 500mg/kg (500mg/kg)		Compilation of LD50 Values of New Drugs.
mouse	LD50	intravenous	18mg/kg (18mg/kg)		Compilation of LD50 Values of New Drugs.
mouse	LD50	oral	1140mg/kg (1140mg/kg)		Compilation of LD50 Values of New Drugs.
rat	LD50	intravenous	18mg/kg (18mg/kg)		"Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969.
rat	LD50	oral	916mg/kg (916mg/kg)		"Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 97, 1969.
rat	LD50	subcutaneous	904mg/kg (904mg/kg)		Compilation of LD50 Values of New Drugs.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Br⁻ and NO_x. See also ESTERS.
Safety Information of Piptal (CAS NO.125-51-9):
Hazard Codes: Xn Harmful
Risk Statements: 22
22: Harmful if swallowed

Specification

Piptal ,its CAS NO. is 125-51-9,the synonyms is 1-Ethyl-3-hydroxy-1-methyl-piperidinium bromide benzilate ; 1-Ethyl-3-piperidyl benzilate methylbromide ; Benzilic acid, 1-ethyl-3-piperidyl ester methylbromide ; Benzilic acid, ester with 1-ethyl-3-hydroxy-1-methylpiperidinium bromide ; Bromure de pipenzolate ; EINECS 204-741-2 ; JB-323 ; N-Ethyl-3-piperidylbenzilate methobromide ; NEPB Br ; NSC 4347 ; Pipenzolate bromide ; Pipenzolate methobromide ; Pipenzolati bromidum .