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Prifinium bromide

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Name

Prifinium bromide

EINECS 225-051-8
CAS No. 4630-95-9 Density N/A
PSA 0.00000 LogP 2.10010
Solubility N/A Melting Point 216-218°
Formula C22H28BrN Boiling Point (Free base, bp0.15 183-185°)
Molecular Weight 386.375 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4630-95-9 (prifinium bromide) Hazard Symbols N/A
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;

Article Data 1

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.

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