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Phendioxan

CAT: 0931-T33971-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33971-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130905-04-3
Target
Others, Adrenergic Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
Phendioxan is a biochemcial.
Smiles
COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
Molecular Formula
C25H27NO5
Molecular Weight
421.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

rel-(2R,3R)-N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-3-phenyl-1,4-benzodioxin-2-methanamine

structure given in first source

CAS Number130905-04-3
PubChem CID44289262
IUPAC Name2-(2,6-dimethoxyphenoxy)-N-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
Molecular FormulaC25H27NO5
Molecular Weight421.5
XLogP4.4
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity502
SMILES
COC1=C(C(=CC=C1)OC)OCCNC[C@H]2[C@@H](OC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3/t23-,24-/m0/s1
InChIKey
UVEKKXRFQCNLQE-ZEQRLZLVSA-N
Chemical Structure
2D Structure
2D structure of rel-(2R,3R)-N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-3-phenyl-1,4-benzodioxin-2-methanamine
CAS: 130905-04-3
CID: 44289262
Formula: C25H27NO5
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass421.18892296
Monoisotopic Mass421.18892296
Topological Polar Surface Area58.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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