Product Name

  • Name

    Brompheniramine hydrogen maleate

  • EINECS 213-562-9
  • CAS No. 980-71-2
  • Density
  • Solubility soluble in water, less soluble in alcohol
  • Melting Point 134-135 °C
  • Formula C16H19BrN2·C4H4O4
  • Boiling Point 403 °C at 760 mmHg
  • Molecular Weight 435.318
  • Flash Point 197.5 °C
  • Transport Information
  • Appearance white solid
  • Safety 36
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 980-71-2 (Brompheniramine hydrogen maleate)
  • Hazard Symbols HarmfulXn,IrritantXi
  • 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);
  • PSA 90.73000
  • LogP 3.63950

Synthetic route

RS-brompheniramine maleate
980-71-2

RS-brompheniramine maleate

A

S-brompheniramine maleate

S-brompheniramine maleate

B

(R)-brompheniramine maleate

(R)-brompheniramine maleate

Conditions
ConditionsYield
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;

Brompheniramine hydrogen maleate Consensus Reports

Reported in EPA TSCA Inventory.

Brompheniramine hydrogen maleate 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.

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