CAS No.980-71-2,Brompheniramine hydrogen maleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	980-71-2
Name:	Brompheniramine hydrogen maleate

Formula:	C₁₆H₁₉BrN₂·C₄H₄O₄
Molecular Weight:	435.318
Synonyms:	Brompheniramine maleate;Pyridine, 2-(p-bromo-alpha-(2-(dimethylamino)ethyl)benzyl)-, maleate (1:1);gamma-(4-Bromophenyl)-N,N-dimethyl-2-pyridinepropanamine;Dimetane Extentabs;Parabromdylamine maleate;2-(p-Bromo-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine maleate;Dimetapp Elixir;Veltane;Ebalin;Spentane;Lodrane Liquid;Dristan Allergy;2-(p-Bromo-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine maleate (1:1);Drixoral Syrup;Dimetane;Brompheniramine maleate (USP);Gammistin;Dimotane;2-Pyridinepropanamine, gamma-(4-bromophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1);Brompheniraminum [INN-Latin];Dimetapp allergy;Rolabromophen;Prestwick_913;Dimetapp DM;2-Pyridinepropanamine, gamma-(4-bromophenyl)-N,N-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1);Drauxin;Allent;Dimetapp Childrens Chewable;Bromopheniramine maleate;Dimetapp Tablets;Dimetapp allergy (TN);2-Pyridinepropanamine, gamma-(4-bromophenyl)-N,N-dimethyl-, (Z)-butenedioate (1:1);2-Pyridinepropanamine,?-(4-bromophenyl)-N,- N-dimethyl-,(2Z)-2-butenedioate (1:1);
EINECS:	213-562-9
Melting Point:	134-135 °C
Boiling Point:	403 °C at 760 mmHg
Flash Point:	197.5 °C
Solubility:	soluble in water, less soluble in alcohol
Appearance:	white solid
Hazard Symbols:	Xn,Xi
Risk Codes:	22
Safety:	36
PSA:	90.73000
LogP:	3.63950

Synthetic route

: 980-71-2
RS-brompheniramine maleate

A: S-brompheniramine maleate

B: (R)-brompheniramine maleate

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; phosphoric acid In methanol; water pH=2.75; Reagent/catalyst; Ionic liquid; Resolution of racemate;
With β‐cyclodextrin In aq. phosphate buffer pH=2.5; Resolution of racemate;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Brompheniramine hydrogen maleate, with the CAS registry number 980-71-2, is also known as 1-(N,N-Dimethylamino)-3-(p-bromophenyl)-3-(alpha-pyridyl)propane maleate. It belongs to the product categories of Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 213-562-9. This chemical's molecular formula is C₁₆H₁₉BrN₂·C₄H₄O₄and molecular weight is 435.31. What's more, its systematic name is 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine (2Z)-but-2-enedioate. Its classification codes are: (1)Antihistaminic; (2)Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. This chemical is harmful if swallowed. When using it, you need wear suitable protective clothing.

Physical properties of Brompheniramine hydrogen maleate are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.41; (7)ACD/KOC (pH 5.5): 1.79; (8)ACD/KOC (pH 7.4): 16.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 16.13 Å²; (13)Flash Point: 197.5 °C; (14)Enthalpy of Vaporization: 65.42 kJ/mol; (15)Boiling Point: 403 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.Brc1ccc(cc1)C(c2ncccc2)CCN(C)C
(2)Std. InChI: InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
(3)Std. InChIKey: SRGKFVAASLQVBO-BTJKTKAUSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	76mg/kg (76mg/kg)		"Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 19, 1969.
rat	LD50	oral	318mg/kg (318mg/kg)		"Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 19, 1969.