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D-473

CAT: 0013-GTR19209642-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209642-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
D-473 is a novel, orally bioavailable small molecule that acts as a triple monoamine reuptake inhibitor, blocking the dopamine, serotonin, and norepinephrine transporters. It is a research tool for investigating neuropsychiatric disorders such as depression and may be used in both in vitro binding assays and in vivo behavioral studies.
CAS Number
1632000-05-5
Smiles
[C@H] ([C@@H]1C[C@@H] (O) [C@H] (NCC2=CC=C (OC) C=C2) CO1) (C3=CC=C (F) C=C3) C4=CC=C (F) C=C4
Molecular Formula
C26H27F2NO3
Molecular Weight
439.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R,5R)-2-(Bis(4-fluorophenyl)methyl)-5-((4-methoxybenzyl)amino)tetrahydro-2H-pyran-4-ol
CAS Number1632000-05-5
PubChem CID86280649
IUPAC Name(2S,4R,5R)-2-[bis(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]oxan-4-ol
Molecular FormulaC26H27F2NO3
Molecular Weight439.5
XLogP4.4
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity521
SMILES
COC1=CC=C(C=C1)CN[C@@H]2CO[C@@H](C[C@H]2O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H27F2NO3/c1-31-22-12-2-17(3-13-22)15-29-23-16-32-25(14-24(23)30)26(18-4-8-20(27)9-5-18)19-6-10-21(28)11-7-19/h2-13,23-26,29-30H,14-16H2,1H3/t23-,24-,25+/m1/s1
InChIKey
BEJMRCNDXXJWEL-SDHSZQHLSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R,5R)-2-(Bis(4-fluorophenyl)methyl)-5-((4-methoxybenzyl)amino)tetrahydro-2H-pyran-4-ol
CAS: 1632000-05-5
CID: 86280649
Formula: C26H27F2NO3
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass439.19590005
Monoisotopic Mass439.19590005
Topological Polar Surface Area50.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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