-
Name
Piperidinium,1-ethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)
- EINECS 204-741-2
- CAS No. 125-51-9
- Density g/cm3
- Solubility
- Melting Point 179-180°
- Formula C22H28 N O3 . Br
- Boiling Point °Cat760mmHg
- Molecular Weight 434.373
- Flash Point °C
- Transport Information
- Appearance White Powder
- Safety Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Br− and NOx. See also ESTERS.
- Risk Codes 22
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Molecular Structure
-
Hazard Symbols
Xn
- 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
- PSA 46.53000
- LogP 0.05740
Synthetic route
| Conditions | Yield |
|---|---|
| With ethanol |
Piptal Chemical Properties
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
Piptal 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. |
Piptal 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 NOx. See also ESTERS.
Safety Information of Piptal (CAS NO.125-51-9):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed
Piptal 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 .
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