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Also known as: Glutathione sodium [who-dd], Reduced glutathione sodium salt, H0x6ukx533, Unii-h0x6ukx533, 20167-21-9, Glycine, l-gamma-glutamyl-l-cysteinyl-, sodium salt

Molecular Formula

C₁₀H₁₆N₃NaO₆S

Molecular Weight

329.31 g/mol

InChI Key

QWXDICNEPRTOLR-GEMLJDPKSA-M

FDA UNII

H0X6UKX533

1 2D Structure

Glutathione Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate

2.1.2 InChI

InChI=1S/C10H17N3O6S.Na/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;+1/p-1/t5-,6-;/m0./s1

2.1.3 InChI Key

QWXDICNEPRTOLR-GEMLJDPKSA-M

2.1.4 Canonical SMILES

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)[O-])N.[Na+]

2.1.5 Isomeric SMILES

C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)[O-])N.[Na+]

2.2 Other Identifiers

2.2.1 UNII

H0X6UKX533

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Glutathione Sodium [who-dd]

2. Reduced Glutathione Sodium Salt

3. H0x6ukx533

4. Unii-h0x6ukx533

5. 20167-21-9

6. Glycine, L-gamma-glutamyl-l-cysteinyl-, Sodium Salt

7. Glutathione (reduced) Sodium Salt

8. Akos030524317

9. 34212-83-4

10. Glycine, L-.gamma.-glutamyl-l-cysteinyl-, Sodium Salt

2.4 Create Date

2017-04-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆N₃NaO₆S
Molecular Weight	329.31 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	163
Heavy Atom Count	21
Formal Charge	0
Complexity	395
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2