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Citalopram-d4 Hydrobromide Salt

CAT: 1459-CS-T-71896Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-71896Size:1 Each
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Description
Citalopram-d4 Hydrobromide Salt is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Citalopram. The product is supplied by Clearsynth under CAT No. CS-T-71896. 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
1219803-58-3
Synonyms
Citalopram-d4 Hydrobromide Salt
Additionnal Information
Citalopram-d4 Hydrobromide Salt is supplied with detailed characterization data compliant with regulatory guideline. Citalopram-d4 Hydrobromide Salt 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 Citalopram.
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

Citalopram-d4 Hydrobromide Salt
CAS Number1219803-58-3
PubChem CID91826099
IUPAC Name1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
Molecular FormulaC20H22BrFN2O
Molecular Weight409.3
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity466
SMILES
[2H]C1=C(C(=C(C(=C1C2(C3=C(CO2)C=C(C=C3)C#N)CCCN(C)C)[2H])[2H])F)[2H].Br
InChI
InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/i5D,6D,7D,8D;
InChIKey
WIHMBLDNRMIGDW-VBMPRCAQSA-N
Chemical Structure
2D Structure
2D structure of Citalopram-d4 Hydrobromide Salt
CAS: 1219803-58-3
CID: 91826099
Formula: C20H22BrFN2O
MW: 409.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass408.11506
Monoisotopic Mass408.11506
Topological Polar Surface Area36.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity466
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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