MedKoo Cat#: 414080 | Name: Esoxybutynin Free Base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Esoxybutynin is (S)-enantiomer of oxybutynin. Esoxybutynin exerts antimuscarinic properties. Racemic oxybutynin is used clinically to treat urinary incontinence. Sepracor was developing (S)-oxybutynin, a single-isomer version of Alza's Ditropan (racemic oxybutynin), a muscarinic acetylcholine receptor antagonist, as a potential treatment for urinary incontinence.

Chemical Structure

Esoxybutynin Free Base
Esoxybutynin Free Base
CAS#119618-22-3 (S-isomer)

Theoretical Analysis

MedKoo Cat#: 414080

Name: Esoxybutynin Free Base

CAS#: 119618-22-3 (S-isomer)

Chemical Formula: C22H31NO3

Exact Mass: 357.2304

Molecular Weight: 357.49

Elemental Analysis: C, 73.92; H, 8.74; N, 3.92; O, 13.43

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
5633-20-5 (racemate) 1508-65-2 (racemate HCl) 1207344-05-5 (R-isomer HCl) 119618-21-2 (R-isomer) 2862851-81-6 (R-isomer tartrate) 2738613-22-2 (R-isomer citrate) 119618-22-3 (S-isomer) 230949-16-3 (S-isomer HCl)
Synonym
Esoxybutynin Free Base
IUPAC/Chemical Name
4-(diethylamino)but-2-yn-1-yl (S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
InChi Key
XIQVNETUBQGFHX-JOCHJYFZSA-N
InChi Code
InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m1/s1
SMILES Code
CCN(CC#CCOC([C@](C1CCCCC1)(c2ccccc2)O)=O)CC
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 357.49 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