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Miproxifene

CAT: 0926-EFA61287-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-EFA61287-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129612-87-9
Smiles
CCC (=C (C1=CC=C (C=C1) O) C2=CC=C (C=C2) OCCN (C) C) C3=CC=C (C=C3) C (C) C
Molecular Formula
C29H35NO2
Molecular Weight
429.6 g/mol
Controlled
No

Chemical Information

Miproxifene

structure given in first source; DP-TAT-59 is the Z isomer

CAS Number129612-87-9
PubChem CID3037015
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol
Molecular FormulaC29H35NO2
Molecular Weight429.6
XLogP7.9
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity560
SMILES
CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C29H35NO2/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(24-11-15-26(31)16-12-24)25-13-17-27(18-14-25)32-20-19-30(4)5/h7-18,21,31H,6,19-20H2,1-5H3/b29-28-
InChIKey
FVVPWVFWOOMXEZ-ZIADKAODSA-N
Chemical Structure
2D Structure
2D structure of Miproxifene
CAS: 129612-87-9
CID: 3037015
Formula: C29H35NO2
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass429.266779359
Monoisotopic Mass429.266779359
Topological Polar Surface Area32.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity560
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
456251Miproxifene

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