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Raloxifene-d4 Hydrochloride

CAT: 1459-CS-O-06913Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-06913Size:1 Each
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Description
Raloxifene-d4 Hydrochloride is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Raloxifene. The product is supplied by Clearsynth under CAT No. CS-O-06913. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"Labeled Raloxifene, intended for use as an internal standard for the quantification of Raloxifene by GC- or LC-mass spectrometry."
CAS Number
1188263-47-9
Synonyms
Raloxifene-d4 Hydrochloride
Molecular Formula
C 28 H 24 D 4 ClNO 4 S
Molecular Weight
514.07
Additionnal Information
Raloxifene-d4 Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Raloxifene-d4 Hydrochloride 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 Raloxifene.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Raloxifene, intended for use as an internal standard for the quantification of Raloxifene by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Raloxifene-d4 Hydrochloride
CAS Number1188263-47-9
PubChem CID45359089
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
Molecular FormulaC28H28ClNO4S
Molecular Weight514.1
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity655
SMILES
[2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCCC5.Cl
InChI
InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H/i16D2,17D2;
InChIKey
BKXVVCILCIUCLG-ZBLPOJTCSA-N
Chemical Structure
2D Structure
2D structure of Raloxifene-d4 Hydrochloride
CAS: 1188263-47-9
CID: 45359089
Formula: C28H28ClNO4S
MW: 514.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass513.1678642
Monoisotopic Mass513.1678642
Topological Polar Surface Area98.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity655
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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