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Merck
CN

900079

Cortisone-2,3,4-13C3 21-sulfate sodium salt solution

100 μg/mL in methanol, ≥98 atom % 13C, ≥95% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C3C18H27NaO8S
Molecular Weight:
465.47
UNSPSC Code:
12142200
NACRES:
NA.12
Isotopic purity:
≥98 atom % 13C
Assay:
≥95% (CP)
Mass shift:
M+3
Form:
solution
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InChI

1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,18?,19-,20-,21-;/m0./s1/i5+1,9+1,13+1;

InChI key

CKCQAVLXEMPVTM-IHWDKLTBSA-M

SMILES string

O=C(COS(=O)([O-])=O)[C@@]1(O)CC[C@@]([C@]1(C)C2)([H])[C@]3([H])CCC4=[13CH][13C]([13CH2]C[C@]4(C)C3C2=O)=O.[Na+]

isotopic purity

≥98 atom % 13C

assay

≥95% (CP)

form

solution

concentration

100 μg/mL in methanol

technique(s)

mass spectrometry (MS): suitable

mass shift

M+3

storage temp.

−20°C

Quality Level

Related Categories

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

49.5 °F

flash_point_c

9.7 °C

Regulatory Information

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