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Sodium Estrone-d4 Sulfate

CAT: 1459-CS-O-06594Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-06594Size:1 Each
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Description
Sodium Estrone-d4 Sulfate is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Estrone. The product is supplied by Clearsynth under CAT No. CS-O-06594. 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 Estrone, intended for use as an internal standard for the quantification of Estrone by GC- or LC-mass spectrometry."
CAS Number
285979-80-8
Synonyms
Sodium Estrone-d4 Sulfate
Molecular Formula
C 19 H 19 D 4 NaO 4 S
Molecular Weight
374.46
Additionnal Information
Sodium Estrone-d4 Sulfate is supplied with detailed characterization data compliant with regulatory guideline. Sodium Estrone-d4 Sulfate 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 Estrone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Estrone, intended for use as an internal standard for the quantification of Estrone by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Sodium 17-oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10)-trien-3-yl sulfate
CAS Number285979-80-8
PubChem CID71311484
IUPAC Namesodium [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate
Molecular FormulaC18H21NaO5S
Molecular Weight376.4
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity630
SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+]
InChI
InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1/i3D,7D2,10D;
InChIKey
VUCAHVBMSFIGAI-IGBMKMNFSA-M
Chemical Structure
2D Structure
2D structure of Sodium 17-oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10)-trien-3-yl sulfate
CAS: 285979-80-8
CID: 71311484
Formula: C18H21NaO5S
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.12584621
Monoisotopic Mass376.12584621
Topological Polar Surface Area91.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity630
Isotope Atom Count4
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
HY-113293BS1-01Estrone sulfate-d4 (sodium)
TMIJ-0256-01Estrone-d4 3-Sulfate Sodium Salt
HY-113293B-01Estrone sulfate (sodium)
577717Estrone sodium sulfate
C03475-1gEstrone sulfate sodium
ESS0205-01Estrone-3-sulfate Sodium
HY-113293BR-01Estrone sulfate (sodium) (Standard)
HY-113293BS-01Estrone sulfate-d5 (sodium)
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