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Desipramine-d3

CAT: 0572-TRC-D290053-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D290053-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65100-49-4
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1cc2N(CCCN(C)C)c3ccccc3CNc2c([2H])c1[2H]
Molecular Formula
C18 2H3 H20 N3
Molecular Weight
284.41
InChI
InChI=1S/C18H23N3/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19-16-9-4-6-11-18(16)21/h3-6,8-11,19H,7,12-14H2,1-2H3/i4D,6D,9D
Additionnal Information
IUPAC name: N,N-dimethyl-3-(2,3,4-trideuterio-5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Desipramine-d3

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CAS Number65100-49-4
PubChem CID45038865
IUPAC Name3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine
Molecular FormulaC18H22N2
Molecular Weight269.4
XLogP4.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity267
SMILES
[2H]C([2H])([2H])NCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C18H22N2/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/i1D3
InChIKey
HCYAFALTSJYZDH-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Desipramine-d3
CAS: 65100-49-4
CID: 45038865
Formula: C18H22N2
MW: 269.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass269.197128948
Monoisotopic Mass269.197128948
Topological Polar Surface Area15.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity267
Isotope Atom Count3
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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