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153439-40-8

Basic Information
CAS No.: 153439-40-8
Name: Fexofenadine hydrochloride
Molecular Structure:
Molecular Structure of 153439-40-8 (Fexofenadine hydrochloride)
Formula: C32H39NO4.HCl
Molecular Weight: 538.127
Synonyms: Fexofenadine;Allegra;Carboxyterfenadine hydrochloride;Fexofenadine HCl;MDL 16,455A;Telfast;
EINECS: 604-906-2
Melting Point: 148-150 °C
Boiling Point: 697.3 °C at 760 mmHg
Flash Point: 375.5 °C
Solubility: DMSO: 32 mg/mL, soluble
Appearance: off-white crystalline solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 81.00000
LogP: 6.25040
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    Product name: Fexofenadine HCL CAS No.:153439-40-8 Molecule Formula:C32H39ClNO4 Molecule Weight:537.10 Purity: 98.5% Package: 25kg/drum Description: White to off-white powder Manufacture Standards:Enterprise Standard

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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