75760-37-1 Purity
96%
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Specification
The molecular formula is C13H15N2NaO6S.
The molecular weight is 350.32 g/mol.
The synonyms are 6-Sulfatoxy Melatonin Sodium Salt, 76290-78-3, and sodium;[3-(2-acetamidoethyl)-5-methoxy-3H-indol-6-yl] sulfate.
The parent compound is [3-(2-acetamidoethyl)-5-methoxy-3H-indol-6-yl] hydrogen sulfate.
The component compounds are Sodium (CID 5360545) and [3-(2-acetamidoethyl)-5-methoxy-3H-indol-6-yl] hydrogen sulfate (CID 129627344).
It was created on 2017-09-07 and last modified on 2023-10-21.
The IUPAC name is sodium;[3-(2-acetamidoethyl)-5-methoxy-3H-indol-6-yl] sulfate.
The InChI is InChI=1S/C13H16N2O6S.Na/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11;/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H,17,18,19);/q;+1/p-1.
The InChIKey is JIYURPOQDRFSFZ-UHFFFAOYSA-M.
The molecular weight is 350.32 g/mol, it has one hydrogen bond donor count, seven hydrogen bond acceptor count, six rotatable bond count, and a formal charge of 0.