CAS Number50679-08-8
Synonyms4-{4-[Hydroxy(diphenyl)methyl]-1-piperidinyl}-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanol; Triludan; a-(p-tert-Butylphenyl)-4-(a-hydroxy-a-phenylbenzyl)-1-piperidinebutanol; a-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol; MFCD00079622; Teldanex; Allerplus; Cyater; 1-(p-tert-Butylphenyl)-4'-[4'-(a-hydroxydiphenylmethyl)-1-piperidyl]butanol; Terfex; [3H]-Terfenadine; Aldaban; Terfenadine; Ternadin; 1-(4-tert-Butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol; Teldane; Treludan; 1-[4-(tert-butyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidino}butan-1-ol; Terfenadina; Seldane; Terdin; 1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol; UNII:7BA5G9Y06Q; EINECS 256-710-8
Molecular FormulaC32H41NO2
Molecular Weight471.67
Purity98%
Density1.1±0.1 g/cm3
Boiling Point626.8±55.0 °C at 760 mmHg
Melting Point145-152 °C
Appearancesolid crystalline powder
EINECS256-710-8
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 50679-08-8 |
| Catalog No. | 2A-9012645 |
| Chinese Name | 特非那定 |
| Synonyms | 4-{4-[Hydroxy(diphenyl)methyl]-1-piperidinyl}-1-[4-(2-methyl-2-propanyl)phenyl]-1-butanol; Triludan; a-(p-tert-Butylphenyl)-4-(a-hydroxy-a-phenylbenzyl)-1-piperidinebutanol; a-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol; MFCD00079622; Teldanex; Allerplus; Cyater; 1-(p-tert-Butylphenyl)-4'-[4'-(a-hydroxydiphenylmethyl)-1-piperidyl]butanol; Terfex; [3H]-Terfenadine; Aldaban; Terfenadine; Ternadin; 1-(4-tert-Butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol; Teldane; Treludan; 1-[4-(tert-butyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidino}butan-1-ol; Terfenadina; Seldane; Terdin; 1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol; UNII:7BA5G9Y06Q; EINECS 256-710-8 |
| Molecular Formula | C32H41NO2 |
| Molecular Weight | 471.67 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 626.8±55.0 °C at 760 mmHg |
| Melting Point | 145-152 °C |
| Appearance | solid crystalline powder |
| Water Solubility | 0.001 g/100 mL (30 ºC) |
| Storage Condition | Sealed, stored at 2ºC -8ºC |
| Application | Terfenadine is a potent inhibitor of hERG open channels with an IC50 of 204 nM. |
| EINECS | 256-710-8 |
| HTC | 2933399090 |
| PubChem ID | 24277779 |
| MDL Number | MFCD00079622 |
| SMILES | CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 |
| InChI | 1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 |
| InChI Key | GUGOEEXESWIERI-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12161501 |
| MSDS | msds/12645_1_50679_08_8.pdf |
| Bioactivity | Terfenadine is a potent open-channel blocker of hERG with a mean IC50 of 204 nM.IC50 value: 204 nMTarget: HERGTerfenadine normally undergoes extensive first-pass metabolism in the liver to produce an active acidic metabolite. Terfenadine is a widely used, over-the-counter drug to treat allergies. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Research Areas >> Inflammation/Immunology References [1]. Kamiya K, et al. Molecular determinants of hERG channel block by terfenadine and cisapride. J Pharmacol Sci. 2008 Nov;108(3):301-307. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 626.8±55.0 °C at 760 mmHg Melting Point 145-152 °C Molecular Formula C32H41NO2 Molecular Weight 471.673 Flash Point 306.9±30.2 °C Exact Mass 471.313721 PSA 43.70000 LogP 6.51 Vapour Pressure 0.0±1.9 mmHg at 25°C Index of Refraction 1.580 InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N SMILES CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 Storage condition 2-8°C Water Solubility 0.001 g/100 mL (30 ºC) |
| Use of | Terfenadine is a potent open-channel blocker of hERG with a mean IC50 of 204 nM.IC50 value: 204 nMTarget: HERGTerfenadine normally undergoes extensive first-pass metabolism in the liver to produce an active acidic metabolite. Terfenadine is a widely used, over-the-counter drug to treat allergies. Properties Articles102 Name 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol Synonym More Synonyms Terfenadine Biological Activity Description Terfenadine is a potent open-channel blocker of hERG with a mean IC50 of 204 nM.IC50 value: 204 nMTarget: HERGTerfenadine normally undergoes extensive first-pass metabolism in the liver to produce an active acidic metabolite. Terfenadine is a widely used, over-the-counter drug to treat allergies. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Research Areas >> Inflammation/Immunology References [1]. Kamiya K, et al. Molecular determinants of hERG channel block by terfenadine and cisapride. J Pharmacol Sci. 2008 Nov;108(3):301-307. Chemical & Physical Properties Molecular Formula C32H41NO2 Exact Mass 471.313721 PSA 43.70000 Index of Refraction 1.580 InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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