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2-Hydroxy Desipramine-d3

CAT: 0804-HY-132461S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132461S-01Size:10 mg
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Description
2-Hydroxy Desipramine-d3 is the deuterium labeled 2-Hydroxy Desipramine[1].
CAS Number
1189998-63-7
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
C(CCNC([2H])([2H])[2H])N1C=2C(CCC=3C1=CC=CC3)=CC(O)=CC2
Molecular Formula
C18H19D3N2O
Molecular Weight
285.40
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 Desipramine-d3
CAS Number1189998-63-7
PubChem CID46781780
IUPAC Name11-[3-(trideuteriomethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Molecular FormulaC18H22N2O
Molecular Weight285.4
XLogP4.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity322
SMILES
[2H]C([2H])([2H])NCCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3/i1D3
InChIKey
NVJBOLMRGMDGLD-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Desipramine-d3
CAS: 1189998-63-7
CID: 46781780
Formula: C18H22N2O
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass285.192043567
Monoisotopic Mass285.192043567
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity322
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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Alternative Products

CatalogName
sc-2138202-Hydroxy Desipramine-d3
sc-2138212-Hydroxy Desipramine-d3 β-D-Glucuronide
sc-2091812-Hydroxy Desipramine
TRC-H936512-50MG2-Hydroxy Desipramine-d3 beta-D-Glucuronide
sc-4955752-Hydroxy Desipramine-d6
AR-D01408-012-Hydroxy desipramine glucuronide
TRC-H936503-25MG2-Hydroxy Desipramine-d6 Hydrochloride
AR-D01409-012-Hydroxy desipramine-d6 glucuronide
AR-D01407-012-Hydroxy desipramine-d6 HCl
0136382-Hydroxy Desipramine β-D-Glucuronide

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