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MedKoo Cat#: 125702 | Name: N-desethyloxybutynin

Description:

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

N-desethyloxybutynin is a member of benzenes.

Chemical Structure

N-desethyloxybutynin
N-desethyloxybutynin
CAS#80976-67-6 (free base)

Theoretical Analysis

MedKoo Cat#: 125702

Name: N-desethyloxybutynin

CAS#: 80976-67-6 (free base)

Chemical Formula: C20H27NO3

Exact Mass: 329.2000

Molecular Weight: 329.44

Elemental Analysis: C, 72.92; H, 8.26; N, 4.25; O, 14.57

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 #
81039-77-2 (HCl) 80976-67-6 (free base)
Synonym
N-Desethyloxybutynin; 80976-67-6; 4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; NRX-101; 8809SNK4F7
IUPAC/Chemical Name
4-(ethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
InChi Key
SNIBJKHIKIIGPR-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3
SMILES Code
CCNCC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
Appearance
To be determined
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 329.44 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
1: Miao Z, Tan M, Wells E, Unger S. The impact of hemolysis on stability of N-desethyloxybutynin in human plasma. Bioanalysis. 2019 Dec;11(23):2133-2144. doi: 10.4155/bio-2019-0160. Epub 2019 Nov 15. PMID: 31729241. 2: Mizushima H, Takanaka K, Abe K, Fukazawa I, Ishizuka H. Stereoselective pharmacokinetics of oxybutynin and N-desethyloxybutynin in vitro and in vivo. Xenobiotica. 2007 Jan;37(1):59-73. doi: 10.1080/00498250600976088. PMID: 17178634. 3: da Fonseca P, de Freitas LA, Pinto LF, Pestana CR, Bonato PS. Enantioselective analysis of oxybutynin and N-desethyloxybutynin with application to an in vitro biotransformation study. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Nov 1;875(1):161-7. doi: 10.1016/j.jchromb.2008.05.023. PMID: 18514599. 4: Zobrist RH, Schmid B, Feick A, Quan D, Sanders SW. Pharmacokinetics of the R- and S-enantiomers of oxybutynin and N-desethyloxybutynin following oral and transdermal administration of the racemate in healthy volunteers. Pharm Res. 2001 Jul;18(7):1029-34. doi: 10.1023/a:1010956832113. PMID: 11496941.