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492531

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

Name: Equilin-2,4,16,16-d<SUB>4</SUB> 3-sulfate sodium salt
Brand: ALDRICH

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

Synonym(s):

Sodium equilin-3-sulfate-2,4,16,16-d₄

About This Item

Empirical Formula (Hill Notation):

C₁₈D₄H₁₅NaO₅S

CAS Number:

285979-81-9

Molecular Weight:

374.42

UNSPSC Code:

12352202

PubChem Substance ID:

24872758

MDL number:

MFCD01075458

Isotopic purity:

≥97 atom % D

Assay:

≥96% (CP)

Mass shift:

M+4

Form:

solid

Properties

isotopic purity

≥97 atom % D

Quality Segment

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

Description

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.

Signal Word

Danger

Storage Class

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

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

Hazard Classifications

Carc. 1B

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