Prifinium bromide supplier | CasNO.4630-95-9

Name
prifinium bromide
EINECS 225-051-8
CAS No. 4630-95-9
Article Data1
CAS DataBase
Density
Solubility
Melting Point 216-218°
Formula C₂₂H₂₈BrN
Boiling Point (Free base, bp0.15 183-185°)
Molecular Weight 386.375
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidiniumbromide (7CI);Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-,bromide (8CI,9CI);3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine ethylbromide;Padrin;Prifinium bromide;Pyrodifenium bromide;Riabal;
PSA 0.00000
LogP 2.10010

Prifinium bromide Specification

The Padrin, with the CAS registry number 4630-95-9, is also known as 3-(Diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium bromide. It belongs to the product category of API Intermediates. Its EINECS registry number is 225-051-8. This chemical's molecular formula is C₂₂H₂₈BrN and molecular weight is 386.37. What's more, its IUPAC name is called 3-Benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide. It is an antimuscarinic. Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx.

Physical properties about Padrin are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.05; (6)ACD/BCF (pH 7.4): 11.05; (7)ACD/KOC (pH 5.5): 194.23; (8)ACD/KOC (pH 7.4): 194.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].c3cc(\C(=C1\C([N+](CC)(CC)CC1)C)c2ccccc2)ccc3
(2) InChI: InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
(3) InChIKey: UCGJZJXOPSNTGZ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	18mg/kg (18mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
dog	LD50	oral	327mg/kg (327mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
dog	LD50	subcutaneous	88mg/kg (88mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
mouse	LD50	intraperitoneal	40mg/kg (40mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
mouse	LD50	intravenous	11mg/kg (11mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
mouse	LD50	oral	310mg/kg (310mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
mouse	LD50	subcutaneous	30mg/kg (30mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
rat	LD50	intraperitoneal	46mg/kg (46mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
rat	LD50	intravenous	5500ug/kg (5.5mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 461, 1982.
rat	LD50	oral	1090mg/kg (1090mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.
rat	LD50	subcutaneous	170mg/kg (170mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 706, 1972.

Product Name

prifinium bromide

Prifinium bromide Specification

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