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Panomifene

CAT: 0926-CDA59917-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-CDA59917-04Size:25 mg
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CAS Number
77599-17-8
MDL Number
MFCD00868714
Smiles
C1=CC=C (C=C1) C (=C (C2=CC=CC=C2) C (F) (F) F) C3=CC=C (C=C3) OCCNCCO
Molecular Formula
C25H24F3NO2
Molecular Weight
427.5 g/mol
Controlled
No

Chemical Information

Panomifene

Panomifene is a small molecule drug. The usage of the INN stem '-mifene' in the name indicates that Panomifene is a antiestrogen, clomifene and tamoxifen derivative. Panomifene has a monoisotopic molecular weight of 427.18 Da.

CAS Number77599-17-8
PubChem CID3033654
IUPAC Name2-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]ethanol
Molecular FormulaC25H24F3NO2
Molecular Weight427.5
XLogP6.1
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity543
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C(F)(F)F)/C3=CC=C(C=C3)OCCNCCO
InChI
InChI=1S/C25H24F3NO2/c26-25(27,28)24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)31-18-16-29-15-17-30/h1-14,29-30H,15-18H2/b24-23+
InChIKey
MHXVDXXARZCVRK-WCWDXBQESA-N
Chemical Structure
2D Structure
2D structure of Panomifene
CAS: 77599-17-8
CID: 3033654
Formula: C25H24F3NO2
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass427.17591349
Monoisotopic Mass427.17591349
Topological Polar Surface Area41.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P181000-250MGPanomifene
T33876LPanomifene HCl
GTR19219711-01Panomifene TFA
HY-122411A(E/Z) -Panomifene (hydrochloride)

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