MedKoo Cat#: 575096 | Name: Desmethyl atenolol

Description:

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

Desmethyl atenolol is an impurity of Atenolol -- a selective β1 receptor antagonist.

Chemical Structure

Desmethyl atenolol
Desmethyl atenolol
CAS#1797116-92-7

Theoretical Analysis

MedKoo Cat#: 575096

Name: Desmethyl atenolol

CAS#: 1797116-92-7

Chemical Formula: C13H20N2O3

Exact Mass: 252.1474

Molecular Weight: 252.31

Elemental Analysis: C, 61.88; H, 7.99; N, 11.10; O, 19.02

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 #
No Data
Synonym
Atenolol impurity I; Desmethyl atenolol
IUPAC/Chemical Name
2-(4-((2RS)-3-(Ethylamino)-2-hydroxypropoxy)phenyl)acetamide
InChi Key
BXEVWKYWEMQUHC-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H20N2O3/c1-2-15-8-11(16)9-18-12-5-3-10(4-6-12)7-13(14)17/h3-6,11,15-16H,2,7-9H2,1H3,(H2,14,17)
SMILES Code
CCNCC(O)COc1ccc(CC(=O)N)cc1
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
Shelf Life
>3 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 252.31 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: Gong Y, McDonough CW, Beitelshees AL, Rouby NE, Hiltunen TP, O'Connell JR, Padmanabhan S, Langaee TY, Hall K, Schmidt SO, Curry RW Jr, Gums JG, Donner KM, Kontula KK, Bailey KR, Boerwinkle E, Takahashi A, Tanaka T, Kubo M, Chapman AB, Turner ST, Pepine CJ, Cooper-DeHoff RM, Johnson JA. PTPRD gene associated with blood pressure response to atenolol and resistant hypertension. J Hypertens. 2015 Nov;33(11):2278-85. doi: 10.1097/HJH.0000000000000714. PubMed PMID: 26425837. 2: Yin J, Duan H, Shirasaka Y, Prasad B, Wang J. Atenolol Renal Secretion Is Mediated by Human Organic Cation Transporter 2 (hOCT2) and Multidrug and Toxin Extrusion Proteins (hMATEs). Drug Metab Dispos. 2015 Sep 15. pii: dmd.115.066175. [Epub ahead of print] PubMed PMID: 26374172. 3: Di Salvo G, Castaldi B, Gala S, Baldini L, Del Gaizo F, D'Aiello FA, Mormile A, Rea A, Scognamiglio G, Pacileo G, Keating S, Fadel BM, Berrino L, Perna A, Russo MG, Calabrò R. Atenolol vs enalapril in young hypertensive patients after successful repair of aortic coarctation. J Hum Hypertens. 2015 Aug 20. doi: 10.1038/jhh.2015.87. [Epub ahead of print] PubMed PMID: 26290275.