Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4]

Datasheet MSDS
Catalog Number
ALP2635
Product Name
Sodium 17beta-Estradiol 3-Sulfate-[2,4,16,16-d4]
CAS Number
352431-50-6
IUPAC Name
sodium;[(8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Synonyms
EstradiolSulphateD4sodium; Sodium17beta-Estradiol-2,4,16,16-d43-Sulfate; Sodium17beta-estradiolsulfate-d4; 17beta-Estradiol3-O-SulfateSodiumSalt-d4; beta-Estradiol3-sulfatesodiumsalt-d4; 1,3,5(10)-Estratriene-3,17beta-diol3-sulfate-d4
Molecular Formula
C18H19D4NaO5S
Molecular Weight
378.45
Appearance
White to Off-White Solid
Purity
≥95%;≥98% atom D
SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@@H]4O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+]
InChI
InChI=1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D;
InChI Key
LMJQCTISQYSLPF-LDBFCMRTSA-M
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