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2-Hydroxy imipramine-d6

CAT: 0804-HY-132329S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132329S-01Size:1 mg
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Description
2-Hydroxy imipramine-d6 is the deuterium labeled 2-Hydroxy imipramine[1].
CAS Number
1189880-70-3
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
C(CCN(C([2H])([2H])[2H])C([2H])([2H])[2H])N1C=2C(CCC=3C1=CC=CC3)=CC(O)=CC2
Molecular Formula
C19H18D6N2O
Molecular Weight
302.44
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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Hydroxy Imipramine-d6
CAS Number1189880-70-3
PubChem CID46781814
IUPAC Name11-[3-[bis(trideuteriomethyl)amino]propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Molecular FormulaC19H24N2O
Molecular Weight302.4
XLogP4.4
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
[2H]C([2H])([2H])N(CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O)C([2H])([2H])[2H]
InChI
InChI=1S/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3/i1D3,2D3
InChIKey
ROTCPJFWLNDKHU-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Imipramine-d6
CAS: 1189880-70-3
CID: 46781814
Formula: C19H24N2O
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass302.226523869
Monoisotopic Mass302.226523869
Topological Polar Surface Area26.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count6
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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