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Ospemifene Metabolite M3

CAT: 1459-CS-O-15184Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-15184Size:1 Each
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Description
Ospemifene Metabolite M3 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ospemifene. The product is supplied by Clearsynth under CAT No. CS-O-15184. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
128585-02-4
Synonyms
Ospemifene Metabolite M3
Molecular Formula
C 24 H 21 ClO 3
Molecular Weight
392.87
Additionnal Information
Ospemifene Metabolite M3 is supplied with detailed characterization data compliant with regulatory guideline. Ospemifene Metabolite M3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Ospemifene.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Ospemifene metabolite M3
CAS Number128585-02-4
PubChem CID101121046
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]acetic acid
Molecular FormulaC24H21ClO3
Molecular Weight392.9
XLogP6.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity510
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCC(=O)O)/CCCl
InChI
InChI=1S/C24H21ClO3/c25-16-15-22(18-7-3-1-4-8-18)24(19-9-5-2-6-10-19)20-11-13-21(14-12-20)28-17-23(26)27/h1-14H,15-17H2,(H,26,27)/b24-22-
InChIKey
HTSDOIMQTBXWBX-GYHWCHFESA-N
Chemical Structure
2D Structure
2D structure of Ospemifene metabolite M3
CAS: 128585-02-4
CID: 101121046
Formula: C24H21ClO3
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass392.1179222
Monoisotopic Mass392.1179222
Topological Polar Surface Area46.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity510
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

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