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Citalopram-d4 (hydrobromide)

CAT: 0804-HY-121203SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121203SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Citalopram-d4 (hydrobromide) is the deuterium labeled Citalopram hydrobromide. Citalopram hydrobromide is a selective serotonin reuptake inhibitor (SSRI) [1].
CAS Number
1219803-58-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds; Serotonin Transporter
Type
Isotope-Labeled Compounds
Related Pathways
Neuronal Signaling; Others
Field of Research
Neurological Disease
Purity
98.3
Solubility
DMSO : 30 mg/mL (ultrasonic; warming)
Smiles
CN(C)CCCC1(C2=C([2H])C([2H])=C(F)C([2H])=C2[2H])C3=CC=C(C#N)C=C3CO1.Br
Molecular Formula
C20H18D4BrFN2O
Molecular Weight
409.33
Precautions
H302, H315, H319, H335
References & Citations
[1]Hyttel J. Citalopram--pharmacological profile of a specific serotonin uptake inhibitor with antidepressant activity. Prog Neuropsychopharmacol Biol Psychiatry. 1982;6 (3) :277-295.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

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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