524956
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
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;
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 key
VUCAHVBMSFIGAI-IGBMKMNFSA-M
isotopic purity
≥95 atom % D
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
Quality Level
Related Categories
Packaging
signalword
Danger
hcodes
Hazard Classifications
Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
Storage Class
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
ppe
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
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