N-Desethyloxybutynin hydrochloride | CAS#81039-77-2 | benzenes

MedKoo Cat#: 124811 | Name: N-Desethyloxybutynin hydrochloride

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 hydrochloride

CAS#81039-77-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 124811

Name: N-Desethyloxybutynin hydrochloride

CAS#: 81039-77-2 (HCl)

Chemical Formula: C20H28ClNO3

Exact Mass: 365.1800

Molecular Weight: 365.90

Elemental Analysis: C, 65.65; H, 7.71; Cl, 9.69; N, 3.83; O, 13.12

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.

Bulk Inquiry

Related CAS #

81039-77-2 (HCl) 80976-67-6 (free base)

Synonym

81039-77-2; rac Desethyl Oxybutynin-d5 Hydrochloride; NT0502 hudrochloride; DESETHYLOXYBUTYNIN, HYDROCHLORIDE; NRX-101 hydrochloride

IUPAC/Chemical Name

4-(ethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride

InChi Key

DSWCYTSHCYXHGW-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H27NO3.ClH/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;1H

SMILES Code

CCNCC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 365.90 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: 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.