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524956

Sigma-Aldrich

Estrone-2,4,16,16-d4 3-sulfate sodium salt

≥95 atom % D, ≥99% (CP), contains 35% TRIS-d5 as stabilizer

Synonym(s):

Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-(sulfooxy)-, sodium salt)

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About This Item

Empirical Formula (Hill Notation):
C18D4H17NaO5S
CAS Number:
285979-80-8
Molecular Weight:
376.44
MDL number:
MFCD01317421
UNSPSC Code:
12352211
PubChem Substance ID:
24874453
NACRES:
NA.12

isotopic purity

≥95 atom % D

Quality Level

200

Assay

≥99% (CP)

contains

35% TRIS-d5 as stabilizer

technique(s)

mass spectrometry (MS): suitable

mp

300 °C (lit.)

mass shift

M+4

storage temp.

−20°C

SMILES string

[Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1OS([O-])(=O)=O

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;

InChI key

VUCAHVBMSFIGAI-IGBMKMNFSA-M

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H319,H335,H350,H360

Hazard Classifications

Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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