MedKoo Cat#: 574289 | Name: 4-hydroxy Nebivolol HCl
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Description:

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

4-hydroxy Nebivolol HCl is a major metabolite of nebivolol. It is formed by the hydroxylation of nebivolol by the cytochrome P450 (CYP) isoform CYP2D6.

Chemical Structure

4-hydroxy Nebivolol HCl
4-hydroxy Nebivolol HCl
CAS#2717115-85-8

Theoretical Analysis

MedKoo Cat#: 574289

Name: 4-hydroxy Nebivolol HCl

CAS#: 2717115-85-8

Chemical Formula: C22H26ClF2NO5

Exact Mass: 457.1468

Molecular Weight: 457.90

Elemental Analysis: C, 57.71; H, 5.72; Cl, 7.74; F, 8.30; N, 3.06; O, 17.47

Price and Availability

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1mg USD 750.00 2 Weeks
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Related CAS #
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Synonym
4-hydroxy Nebivolol HCl
IUPAC/Chemical Name
6-fluoro-2-(2-((2-(6-fluorochroman-2-yl)-2-hydroxyethyl)amino)-1-hydroxyethyl)chroman-4-ol, monohydrochloride
InChi Key
ZZKGIERYWWBAGK-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H25F2NO5.ClH/c23-13-2-5-19-12(7-13)1-4-21(29-19)17(27)10-25-11-18(28)22-9-16(26)15-8-14(24)3-6-20(15)30-22;/h2-3,5-8,16-18,21-22,25-28H,1,4,9-11H2;1H
SMILES Code
FC1=CC=C2C(C(O)CC(C(O)CNCC(O)C3CCC(C=C(F)C=C4)=C4O3)O2)=C1.Cl
Appearance
Solid powder
Purity
>98% (mixture of diastereomers)
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 457.90 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.

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. Hu, X., Lan, T., Dai, D., et al. Evaluation of 24 CYP2D6 Variants on the Metabolism of Nebivolol In Vitro. Drug Metab. Dispos. 44(11), 1828-1831 (2016).