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Rac-Nebivolol-d4 (Major)

CAT: 1459-CS-T-95143Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-95143Size:1 Each
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Description
Rac-Nebivolol-d4 (Major) is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Nebivolol. The product is supplied by Clearsynth under CAT No. CS-T-95143. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1219407-55-2
Synonyms
Rac-Nebivolol-d4 (Major)
Molecular Formula
C 22 H 21 D 4 F 2 NO 4
Molecular Weight
409.47
Additionnal Information
Rac-Nebivolol-d4 (Major) is supplied with detailed characterization data compliant with regulatory guideline. rac-Nebivolol-d4 (Major) can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Nebivolol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

rac Nebivolol-d4 (Major)
CAS Number1219407-55-2
PubChem CID46782463
IUPAC Name2,2-dideuterio-2-[[1,1-dideuterio-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
Molecular FormulaC22H25F2NO4
Molecular Weight409.5
XLogP3
Topological Polar Surface Area71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity483
SMILES
[2H]C([2H])(C(C1CCC2=C(O1)C=CC(=C2)F)O)NC([2H])([2H])C(C3CCC4=C(O3)C=CC(=C4)F)O
InChI
InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/i11D2,12D2
InChIKey
KOHIRBRYDXPAMZ-AREBVXNXSA-N
Chemical Structure
2D Structure
2D structure of rac Nebivolol-d4 (Major)
CAS: 1219407-55-2
CID: 46782463
Formula: C22H25F2NO4
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass409.20027159
Monoisotopic Mass409.20027159
Topological Polar Surface Area71 Ų
Heavy Atom Count29
Formal Charge0
Complexity483
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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