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Substance Name: Fexofenadine [INN:BAN]
RN: 83799-24-0
UNII: E6582LOH6V
InChIKey: RWTNPBWLLIMQHL-UHFFFAOYSA-N

Note

  • Major pharmacologically active metabolite of terfenadine.

Molecular Formula

  • C32-H39-N-O4

Molecular Weight

  • 501.6631
 

Classification Codes

  • Anti-Allergic Agents
  • Histamine Agents
  • Histamine Antagonists
  • Histamine H1 Antagonists
  • Histamine H1 Antagonists, Non-Sedating
  • Neurotransmitter Agents

Names and Synonyms

Name of Substance

  • 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid
  • Fexofenadine
  • Fexofenadine [INN:BAN]

Synonyms

  • Carboxyterfenadine
  • EC 801-893-7
  • Fexofenadine
  • HSDB 7486
  • MDL 16455
  • Terfenadine acid metabolite
  • Terfenadine carboxylate
  • Terfenadine-COOH
  • UNII-E6582LOH6V

Systematic Names

  • (+/-)-4-(1-Hydroxy-4-(4-(hydroxydiphenyl-methyl)-1- piperidinyl)butyl)-alpha-dimethylbenzeneacetic acid
  • Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-

Registry Numbers

CAS Registry Number

  • 83799-24-0

FDA UNII

  • E6582LOH6V

Other Registry Numbers

  • 159389-12-5
  • 76815-58-2

System Generated Number

  • 0083799240

Structure Descriptors

InChI

1S/C32H39NO4/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)

InChIKey

RWTNPBWLLIMQHL-UHFFFAOYSA-N

Smiles

CC(C)(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 144mg/kg/9W-I (144mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: GENERAL ANESTHETIC
Lancet. Vol. 353, Pg. 980, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 142.5 deg C   EXP
log P (octanol-water) 2.810 (none)   EST
Atmospheric OH Rate Constant 1.38E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.