Compound Summary
FEXOFENADINE HYDROCHLORIDE
Compound Information
FEXOFENADINE HYDROCHLORIDE
Compound Name: | FEXOFENADINE HYDROCHLORIDE |
Compound CID: | 63002 |
Synonyms: | FEXOFENADINE HYDROCHLORIDE 153439-40-8 FEXOFENADINE HCL Allegra Telfast More... |
Iupac Name: | 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride |
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 |
InChIKey: | RRJFVPUCXDGFJB-UHFFFAOYSA-N |
Canonical Smiles: | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.Cl |
Isomeric Smiles: | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.Cl |
Molecular Weight: | 538.1 |
Molecular Formula: | C32H40ClNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
FEXOFENADINE HYDROCHLORIDE
Molecular Weight: | 538.1 |
Molecular Formula: | C32H40ClNO4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 38 |
Complexity: | 678 |
Synonyms
FEXOFENADINE HYDROCHLORIDE
| FEXOFENADINE HYDROCHLORIDE | FEXOFENADINE HYDROCHLORIDE |
|---|---|
FEXOFENADINE HYDROCHLORIDE |
153439-40-8 |
FEXOFENADINE HCL |
Allegra |
Telfast |
2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid hydrochloride |
MDL 16,455A |
Fexofenidine hydrochloride |
138452-21-8 |
Fexofenadine (hydrochloride) |
Terfenadine carboxylate hydrochloride |
Terfenidine carboxylate hydrochloride |
MDL 16455 hydrochloride |
C32H40ClNO4 |
MDL 16455 |
MDL 16455A |
MDL-16455A |
MFCD00865710 |
2-(4-{1-hydroxy-4-4-(hydroxydiphenylmethyl)piperidin-1-ylbutyl}phenyl)-2-methylpropanoic acid hydrochloride |
2-4-1-hydroxy-4-4-hydroxy(diphenyl)methylpiperidin-1-ylbutylphenyl-2-methylpropanoic acid;hydrochloride |
153439-40-8 (HCl) |
DSSTox_CID_28642 |
DSSTox_RID_82912 |
DSSTox_GSID_48716 |
Allegra Allergy |
Allegra Hives |
SMR000718798 |
CAS-153439-40-8 |
NCGC00015453-05 |
Childrens Allegra Hives" |
Childrens Allegra Allergy |
Terfenidine |
Altiva |
UNII-2S068B75ZU |
Carboxyterfenadine hydrochloride |
Allegra Flash |
SR-01000075889 |
Allegra OD |
Fexofenadine, HCl |
Allegra (TN) |
Fexofenadine hydrochloride USAN:USP |
Fexofenadine-d10 HCl |
MDL-16455 hydrochloride |
SCHEMBL40914 |
MLS001306422 |
MLS001332493 |
MLS001332494 |
SPECTRUM1504179 |
CHEBI:5051 |
CHEMBL1200618 |
DTXSID5048716 |
HY-B0801A |
Fexofenadine hydrochloride- Bio-X |
2S068B75ZU |
Pharmakon1600-01504179 |
Tox21_113125 |
CF0042 |
NSC758678 |
s3208 |
AKOS015907422 |
Tox21_113125_1 |
AB07499 |
CCG-213275 |
CS-4483 |
Fexofenadine hydrochloride (JP17/USP) |
KS-1057 |
NC00724 |
NSC 758678 |
NSC-758678 |
NCGC00015453-02 |
NCGC00015453-08 |
NCGC00092389-01 |
NCGC00095906-01 |
NCGC00095906-02 |
(+-)-p-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidino)butyl)-alpha-methylhydratropic acid hydrochloride |
AC-24745 |
BF164454 |
Fexofenadine hydrochloride, >98% (HPLC) |
AB0011964 |
DB-043190 |
A3371 |
F0698 |
FT-0631183 |
M-016455-O |
SW199568-2 |
BIM-0050472.0001 |
D00671 |
J10191 |
452F218 |
J-505843 |
SR-01000075889-6 |
Q27255526 |
Fexofenadine hydrochloride 100 microg/mL in Acetonitrile |
Z2210694607 |
Fexofenadine hydrochloride, European Pharmacopoeia (EP) Reference Standard |
Fexofenadine HCl, Pharmaceutical Secondary Standard; Certified Reference Material |
Fexofenadine hydrochloride, United States Pharmacopeia (USP) Reference Standard |
2-(4-(1-HYDROXY-4-(4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-YL)BUTYL)PHENYL)-2-METHYLPROPANOIC ACID HCL |
2-(4-{1-hydroxy-4-4-(hydroxy-diphenyl-methyl)-piperidin-1-yl-butyl}-phenyl)-2-methyl-propionic acid |
2-(4-{1-Hydroxy-4-4-(hydroxy-diphenyl-methyl)-piperidin-1-yl-butyl}-phenyl)-2-methyl-propionic acid; hydrochloride;Fexofenadine HCl |
4-(4-(hydroxydiphenylmethyl)-1-piperidinyl-1-hydroxybutyl-alpha,alpha-dimethylbenzeneacetic acid hydrochloride |
4-4-4-(Hydroxydiphenylmethyl)-1-pieridinyl-1-hydroxybutyl-alpha,alpha-dimethylbenzeneacetic acid hydrochloride |
4-4-4-(hydroxydiphenylmethyl)-1-piperidinyl-1-hydroxybutyl-alpha,alpha-dimethylbenzeneacetic acid hydrochloride |
Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, hydrochloride |
Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, hydrochloride, (+-)- |
Experimental Data
FEXOFENADINE HYDROCHLORIDE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
FEXOFENADINE HYDROCHLORIDE
Statistics Data
FEXOFENADINE HYDROCHLORIDE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
FEXOFENADINE HYDROCHLORIDE
