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Desipramine-d4

CAT: 0804-HY-B1272AS-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1272AS-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Desipramine-d4 is the deuterium labeled Desipramine[1].
CAS Number
61361-34-0
UNSPSC
12352005
Hazard Statement
H315, H317, H319
Target
Dopamine Transporter; Serotonin Transporter
Type
Isotope-Labeled Compounds
Related Pathways
Neuronal Signaling
Field of Research
Others
Purity
98.93
Solubility
10 mM in DMSO
Smiles
CNCCCN1C2=C([2H])C=C([2H])C=C2CCC3=CC([2H])=CC([2H])=C31.Cl[H]
Molecular Formula
C18H19D4ClN2
Molecular Weight
306.87
Precautions
H315, H317, H319
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
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

Desipramine-2,4,6,8-d4 Hydrochloride
CAS Number61361-34-0
PubChem CID45038863
IUPAC NameN-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride
Molecular FormulaC18H23ClN2
Molecular Weight306.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity267
SMILES
[2H]C1=CC(=C2C(=C1)CCC3=CC(=CC(=C3N2CCCNC)[2H])[2H])[2H].Cl
InChI
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
InChIKey
XAEWZDYWZHIUCT-TUJKZWLVSA-N
Chemical Structure
2D Structure
2D structure of Desipramine-2,4,6,8-d4 Hydrochloride
CAS: 61361-34-0
CID: 45038863
Formula: C18H23ClN2
MW: 306.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass306.1800834
Monoisotopic Mass306.1800834
Topological Polar Surface Area15.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity267
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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