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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:
Molecular Weight:
376.44
MDL number:
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

≥95 atom % D

Quality Level

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

Related Categories

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

signalword

Danger

Hazard Classifications

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

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges


Certificates of Analysis (COA)

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