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Name	Diphemanil mesylate	EINECS	200-552-4
CAS No.	62-97-5	Density	N/A
PSA	74.81000	LogP	4.49130
Solubility	Soluble in water	Melting Point	194-195 °C
Formula	C₂₀H₂₄N^.CH₃O₄S	Boiling Point	N/A
Molecular Weight	389.516	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Diphenmethanil methyl sulfate;Vagophemanil methyl sulfate;Diphenmanil methyl sulfate;Prantal methylsulfate;Diphemanil;Piperidinium, 4- (diphenylmethylene)-1, 1-dimethyl-, methyl sulfate;Piperidinium,4-(diphenylmethylene)-1,1- dimethyl-,methyl sulfate;4-benzhydrylidene-1,1-dimethyl-2,3,5,6-tetrahydropyridine; sulfooxymethane;4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate;Diphenmanil methylsulfate;Prantal;Diphenmethanil methylsulfate;Diphemanil methylsulfate;Vagophemanil;Variton;Diathal (Veterinary);Nivelon;Diphemanil methosulfate;Nivelona;Metilsulfate de diphemanil [INN-French];Diphemanil methylsulphate;N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate;4-benzhydrylidene-1,1-dimethyl-2,3,5,6-tetrahydropyridine; sulfonatooxymethane;p-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate;p-(.alpha.-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate;Diphemanil methyl sulfate;N, N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate;Prestwick_522;Diphemanilum;Diphenatil;4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate;Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate;Prantil;Diphemanili metilsulfas [INN-Latin];Diphemanil metilsulfate;Metilsulfato de difemanilo [INN-Spanish];Prentol;Ban-Guard (Veterinary);Diphenmethanil;Talpran;NIVEL-ONA;p-(α-PHENYLBENZYLIDENE)-1,1-DIMETHYL-PIPERIDINIUM METHYL SULFATE;DIPHEN-METHANIL METHYLSULFATE;DIPHEN-MANIL METHYLSULFATE;4-(DIPHENYL-METHYLENE)-1,1-DIMETHYLPIPERIDINIUM METHYL-SULFATE;

Diphemanil mesylate Specification

The Demotil is an organic compound with the formula C₂₀H₂₄N^.CH₃O₄S. The IUPAC name of this chemical is 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium; methyl sulfate. With the CAS registry number 62-97-5, it is also named as Ban-Guard. The product's classification codes are Anti-Asthmatic Agents; Autonomic Agents; Bronchodilator agents; Parasympatholytics; Peripheral Nervous System Agents; Respiratory System Agents.

Physical properties about Demotil are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.51; (5)ACD/BCF (pH 7.4): 27.51; (6)ACD/KOC (pH 5.5): 373.21; (7)ACD/KOC (pH 7.4): 373.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)OC.c3c(\C(=C1/CC[N+](C)(C)CC1)c2ccccc2)cccc3
(2)InChI: InChI=1/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
(3)InChIKey: BREMLQBSKCSNNH-REWHXWOFAY
(4)Std. InChI: InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
(5)Std. InChIKey: BREMLQBSKCSNNH-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	42mg/kg (42mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
guinea pig	LD50	oral	404mg/kg (404mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
mouse	LD50	intraperitoneal	47mg/kg (47mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
mouse	LD50	intravenous	4012ug/kg (4.012mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 103, Pg. 100, 1955.
mouse	LD50	oral	317mg/kg (317mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
rat	LD50	intravenous	5mg/kg (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	1107mg/kg (1107mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.

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