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4-Defluoro-2-fluoro Haloperidol-d4

CAT: 1459-CS-T-74019Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Defluoro-2-fluoro Haloperidol-d4 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Haloperidol. The product is supplied by Clearsynth under CAT No. CS-T-74019. 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
1795021-11-2
Synonyms
4-Defluoro-2-fluoro Haloperidol-d4
Additionnal Information
4-Defluoro-2-fluoro Haloperidol-d4 is supplied with detailed characterization data compliant with regulatory guideline. 4-Defluoro-2-fluoro Haloperidol-d4 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 Haloperidol.
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

4-Defluoro-2-fluoro Haloperidol-d4
CAS Number1795021-11-2
PubChem CID71315273
IUPAC Name4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
Molecular FormulaC21H23ClFNO2
Molecular Weight379.9
XLogP3.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
[2H]C1=C(C(=C(C(=C1C2(CCN(CC2)CCCC(=O)C3=CC=CC=C3F)O)[2H])[2H])Cl)[2H]
InChI
InChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2/i7D,8D,9D,10D
InChIKey
URVMQMKGIVIILI-ULDPCNCHSA-N
Chemical Structure
2D Structure
2D structure of 4-Defluoro-2-fluoro Haloperidol-d4
CAS: 1795021-11-2
CID: 71315273
Formula: C21H23ClFNO2
MW: 379.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.9
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass379.1652418
Monoisotopic Mass379.1652418
Topological Polar Surface Area40.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-D228782-25MG4-Defluoro-2-fluoro Haloperidol-d4
FD80258-014-Defluoro-2-fluoro Haloperidol
1613544-Defluoro-2-fluoro Haloperidol Decanoate
TRC-D228792-25MG4-Defluoro-2-fluoro Haloperidol Decanoate-d19
434045-014”DeFluoro-4”methyl-ezetimibe-d4
TRC-D228972-25MGDefluoro Paliperidone-d4
TRC-D228862-25MG4”DeFluoro-4”methyl-ezetimibe-d4
4129402- (1- (4-Fluorophenyl) butan-1-one) haloperidol-d4
TRC-F596222-25MG2-(1-(4-Fluorophenyl)butan-1-one)haloperidol-d4
007687Defluoro Hydroxy AM-694-d4

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