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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: Magnesium;2-aminoethanesulfonate, 334824-43-0, Rcm1n3d968, Ethanesulfonic acid, 2-amino-, magnesium salt (2:1), Ethanesulfonic acid, 2-amino-, magnesium salt (1:x), 2266565-97-1

Molecular Formula

C₄H₁₂MgN₂O₆S₂

Molecular Weight

272.6 g/mol

InChI Key

YZURQOBSFRVSEB-UHFFFAOYSA-L

FDA UNII

RCM1N3D968

1 2D Structure

Magnesium Taurate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;2-aminoethanesulfonate

2.1.2 InChI

InChI=1S/2C2H7NO3S.Mg/c2*3-1-2-7(4,5)6;/h2*1-3H2,(H,4,5,6);/q;;+2/p-2

2.1.3 InChI Key

YZURQOBSFRVSEB-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(CS(=O)(=O)[O-])N.C(CS(=O)(=O)[O-])N.[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

RCM1N3D968

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Magnesium;2-aminoethanesulfonate

2. 334824-43-0

3. Rcm1n3d968

4. Ethanesulfonic Acid, 2-amino-, Magnesium Salt (2:1)

5. Ethanesulfonic Acid, 2-amino-, Magnesium Salt (1:x)

6. 2266565-97-1

7. Unii-rcm1n3d968

8. Schembl187693

9. Dtxsid201022013

10. Magnesium Taurate [who-dd]

11. Q25323830

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₂MgN₂O₆S₂
Molecular Weight	272.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	271.9987201 g/mol
Monoisotopic Mass	271.9987201 g/mol
Topological Polar Surface Area	183 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3