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rac 4’-Hydroxy Reboxetine

CAT: 0572-TRC-H953455-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H953455-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252570-34-6
Synonyms
rac 4'-Hydroxy Reboxetine
Hazard Statement
No Data Available
Smiles
CCOc1cc(O)ccc1O[C@@H]([C@H]2CNCCO2)c3ccccc3
Molecular Formula
C19 H23 N O4
Molecular Weight
329.39
InChI
InChI=1S/C19H23NO4/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18/h3-9,12,18-21H,2,10-11,13H2,1H3/t18-,19-/m1/s1
Additionnal Information
IUPAC name: 3-ethoxy-4-[(R)-[(2R)-morpholin-2-yl]-phenylmethoxy]phenol
Shipping Conditions
Room Temperature

Chemical Information

rac 4'-Hydroxy Reboxetine
CAS Number252570-34-6
PubChem CID76974444
IUPAC Name3-ethoxy-4-[(R)-[(2R)-morpholin-2-yl]-phenylmethoxy]phenol
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP2.7
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity361
SMILES
CCOC1=C(C=CC(=C1)O)O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO4/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18/h3-9,12,18-21H,2,10-11,13H2,1H3/t18-,19-/m1/s1
InChIKey
KWIARTUNLAUWCQ-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of rac 4'-Hydroxy Reboxetine
CAS: 252570-34-6
CID: 76974444
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area60 Ų
Heavy Atom Count24
Formal Charge0
Complexity361
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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CatalogName
sc-488639Rac 4′-Hydroxy reboxetine
166216Rac 4’-Hydroxy Reboxetine
166217Rac 4’-Hydroxy Reboxetine-d5
sc-488640Rac 4′-Hydroxy reboxetine-d5
sc-4886455′-Hydroxy reboxetine-d5
166218Rac 5’-Hydroxy Reboxetine
1620225’-Hydroxy Reboxetine-d5
sc-488644Rac 5′-Hydroxy reboxetine
MBS577099Reboxetine
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