| Description |
Estrone-[2,4,16,16-d4] 3-sulfate sodium salt is the labelled analogue of Estrone 3-sulfate sodium salt, which is a derivative of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol. |
| Synonyms |
Estrone-2,4,16,16-d4 3-sulfate sodium salt; Sodium Estrone-2,4,16,16-d4 Sulfate; Premarin-2,4,16,16-d4; Estra-1,3,5(10)-trien-17-one 3-(Sulfooxy)-2,4,16,16-d4 Sodium Salt; Estrone-2,4,16,16-d4 Sulfate Sodium Salt; Conestoral-2,4,16,16-d4; Morestin-2,4,16,16-d4 |
| IUPAC Name |
sodium;[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate |
| Related CAS |
438-67-5 (unlabelled) 481-97-0 (unlabelled free acid)
|
| Isomeric SMILES |
[2H]C1=CC2=C(CCC3C2CCC4(C3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+] |
| Canonical SMILES |
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+] |
| InChI |
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 |
| Melting Point |
300°C |
| Purity |
≥99% by CP; ≥95% atom D |
| Solubility |
Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| Appearance |
White to Off-White Solid |
| Storage |
Store at -20°C under inert atmosphere |
![Estrone-[2,4,16,16-d4] 3-sulfate sodium salt](https://resource.bocsci.com/structure/285979-80-8.gif)
