3-hydroxy Darifenacin
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MedKoo CAT#: 574224

CAS#: 206048-82-0

Description: 3-hydroxy Darifenacin is a metabolite of darifenacin. It is an antagonist of M1-5 muscarinic receptors.

Chemical Structure

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3-hydroxy Darifenacin
CAS# 206048-82-0
Instruction

Theoretical Analysis

MedKoo Cat#: 574224
Name: 3-hydroxy Darifenacin
CAS#: 206048-82-0
Chemical Formula: C28H30N2O3
Exact Mass: 442.23
Molecular Weight: 442.560
Elemental Analysis: C, 75.99; H, 6.83; N, 6.33; O, 10.85

Price and Availability

Size Price Availability Quantity
1mg USD 955 2 Weeks
5mg USD 3290 2 Weeks
10mg USD 5200 2 Weeks
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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

Appearance: Solid powder

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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).