4-hydroxy Nebivolol HCl
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MedKoo CAT#: 574289

CAS#: NONE

Description: 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

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4-hydroxy Nebivolol HCl
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 574289
Name: 4-hydroxy Nebivolol HCl
CAS#: NONE
Chemical Formula: C22H26ClF2NO5
Exact Mass: 457.1468
Molecular Weight: 457.9
Elemental Analysis: C, 57.71; H, 5.72; Cl, 7.74; F, 8.30; N, 3.06; O, 17.47

Price and Availability

Size Price Availability Quantity
1.0mg USD 475.0 2 Weeks
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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

Preparing Stock Solutions

The following data is based on the product molecular weight 457.9 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

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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).