Synonym
3-hydroxy Darifenacin, UK 148993
IUPAC/Chemical Name
2-((3S)-1-(2-(3-hydroxy-2,3-dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide
InChi Key
MQEQBFMESJKUBQ-XQZUBTRRSA-N
InChi Code
InChI=1S/C28H30N2O3/c29-27(32)28(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-14-16-30(18-23)15-13-20-11-12-26-24(17-20)25(31)19-33-26/h1-12,17,23,25,31H,13-16,18-19H2,(H2,29,32)/t23-,25?/m1/s1
SMILES Code
NC(C(C1=CC=CC=C1)(C2=CC=CC=C2)[C@H]3CN(CCC4=CC=C(OCC5O)C5=C4)CC3)=O
Purity
>95% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
442.56
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1. Beaumont, K.C., Cussans, N.J., Nichols, D.J., et al. Pharmacokinetics and metabolism of darifenacin in the mouse, rat, dog and man. Xenobiotica 28(1), 63-75 (1998).
2. Kerbusch, T., Wählby, U., Milligan, P.A., et al. Population pharmacokinetic modelling of darifenacin and its hydroxylated metabolite using pooled data, incorporating saturable first-pass metabolism, CYP2D6 genotype and formulation-dependent bioavailability. Br. J. Clin. Pharmacol. 56(6), 639-652 (2003).
3. Mansfield, K.J., Chandran, J.J., Vaux, K.J., et al. Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J. Pharmacol. Exp. Ther. 328(3), 893-899 (2009).
