Product Name

  • Name

    Fexofenadine hydrochloride

  • EINECS 604-906-2
  • CAS No. 153439-40-8
  • Density
  • Solubility DMSO: 32 mg/mL, soluble
  • Melting Point 148-150 °C
  • Formula C32H39NO4.HCl
  • Boiling Point 697.3 °C at 760 mmHg
  • Molecular Weight 538.127
  • Flash Point 375.5 °C
  • Transport Information
  • Appearance off-white crystalline solid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 153439-40-8 (Fexofenadine hydrochloride)
  • Hazard Symbols IrritantXi
  • Synonyms Fexofenadine;Allegra;Carboxyterfenadine hydrochloride;Fexofenadine HCl;MDL 16,455A;Telfast;
  • PSA 81.00000
  • LogP 6.25040

Fexofenadine hydrochloride Specification

The Fexofenadine hydrochloride is an organic compound with the formula C32H39NO4.HCl. The systematic name of this chemical is 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1). With the CAS registry number 153439-40-8, it is also named as benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethyl-, hydrochloride (1:1). The product's categories are Intermediates & Fine Chemicals; Metabolites; Pharmaceuticals. Besides, it should be stored at temperature of -20 °C.

Physical properties about Fexofenadine hydrochloride are: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 7.88; (6)ACD/BCF (pH 7.4): 8.3; (7)ACD/KOC (pH 5.5): 29.24; (8)ACD/KOC (pH 7.4): 30.79; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 48 Å2; (13)Flash Point: 375.5 °C; (14)Enthalpy of Vaporization: 107.22 kJ/mol; (15)Boiling Point: 697.3 °C at 760 mmHg; (16)Vapour Pressure: 2.08E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C(c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4)(C)C
(2)InChI: InChI=1/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H
(3)InChIKey: RRJFVPUCXDGFJB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H
(5)Std. InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N

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