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492531

Sigma-Aldrich

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

≥97 atom % D, ≥96% (CP), contains 50% TRIS-d5 as stabilizer

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Synonym(s):
Sodium equilin-3-sulfate-2,4,16,16-d4
Empirical Formula (Hill Notation):
C18D4H15NaO5S
CAS Number:
285979-81-9
Molecular Weight:
374.42
MDL number:
MFCD01075458
UNSPSC Code:
12352202
PubChem Substance ID:
24872758

isotopic purity

≥97 atom % D

Quality Level

200

Assay

≥96% (CP)

form

solid

contains

50% TRIS-d5 as stabilizer

mp

230 °C (lit.)

mass shift

M+4

SMILES string

[Na+].[H][C@]12CCC3(C)C(=O)C([2H])([2H])C[C@@]3([H])C1=CCc4c([2H])c(OS([O-])(=O)=O)c([2H])cc24

InChI

1S/C18H20O5S.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,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18?;/m1./s1/i3D,7D2,10D;

InChI key

QTTMOCOWZLSYSV-YWDHUTFRSA-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
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H319,H335,H350

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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