Desfesoterodine

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MedKoo CAT#: 319544

CAS#: 207679-81-0 (free base)

Description: Desfesoterodine, also known as PNU-200577, is a major pharmacologically active metabolite of tolterodine, a new muscarinic receptor antagonist intended for the treatment of an overactive bladder. In vitro, PNU-200577 produced a competitive and concentration-dependent inhibition of carbachol-induced contraction of guinea-pig isolated urinary bladder strips (KB = 0.84 nM; pA2 = 9.14). In vivo, PNU-200577 was significantly more potent at inhibiting acetylcholine-induced urinary bladder contraction than electrically induced salivation in the anaesthetised cat (ID50 15 and 40 nmol.kg-1, respectively; P < 0.01).


Chemical Structure

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Desfesoterodine
CAS# 207679-81-0 (free base)

Theoretical Analysis

MedKoo Cat#: 319544
Name: Desfesoterodine
CAS#: 207679-81-0 (free base)
Chemical Formula: C22H31NO2
Exact Mass: 341.2355
Molecular Weight: 341.5
Elemental Analysis: C, 77.38; H, 9.15; N, 4.10; O, 9.37

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Related CAS #: 380636-50-0 (fumarate)   207679-81-0 (free base)    

Synonym: PNU-200577; PNU200577; PNU 200577; Desfesoterodine

IUPAC/Chemical Name: (R)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

InChi Key: DUXZAXCGJSBGDW-HXUWFJFHSA-N

InChi Code: InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1

SMILES Code: OC1=CC=C(CO)C=C1[C@@H](C2=CC=CC=C2)CCN(C(C)C)C(C)C

Appearance: Solid powder

Purity: >98% (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, not in water

Shelf Life: >2 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 341.5 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

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1: Nilvebrant L, Gillberg PG, Sparf B. Antimuscarinic potency and bladder
selectivity of PNU-200577, a major metabolite of tolterodine. Pharmacol Toxicol.
1997 Oct;81(4):169-72. PubMed PMID: 9353847.