WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H124811
CAS#: 81039-77-2
Description: rac Desethyl Oxybutynin-d5 Hydrochloride
Hodoodo Cat#: H124811
Name: N-Desethyloxybutynin hydrochloride
CAS#: 81039-77-2
Chemical Formula: C20H28ClNO3
Exact Mass: 365.18
Molecular Weight: 365.900
Elemental Analysis: C, 65.65; H, 7.71; Cl, 9.69; N, 3.83; O, 13.12
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.