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N-Acetyl-L-cysteine ethyl ester

CAT: 0957-E7066Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E7066Size:5 mg
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Description
N-Acetyl-L-cysteine ethyl ester is a lipophilic, cell-permeable cysteine derivative that acts as a mucolytic agent, paracetamol antidote, and GSH-related antioxidant, protecting against hydroperoxide-induced oxidative damage. It efficiently enters cells, releases N-acetyl-L-cysteine (NAC) and cysteine, and increases circulating hydrogen sulfide (H2S), making it a promising oral H2S donor.
CAS Number
59587-09-6
Synonyms
N-Acetylcysteine ethyl ester, NACET
Molecular Formula
C7H13NO3S

Chemical Information

L-Cysteine, N-acetyl-, ethyl ester
CAS Number59587-09-6
PubChem CID148861
IUPAC Nameethyl (2R)-2-acetamido-3-sulfanylpropanoate
Molecular FormulaC7H13NO3S
Molecular Weight191.25
XLogP1.1
Topological Polar Surface Area56.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
CCOC(=O)[C@H](CS)NC(=O)C
InChI
InChI=1S/C7H13NO3S/c1-3-11-7(10)6(4-12)8-5(2)9/h6,12H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey
MSMRAGNKRYVTCX-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of L-Cysteine, N-acetyl-, ethyl ester
CAS: 59587-09-6
CID: 148861
Formula: C7H13NO3S
MW: 191.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.25
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass191.06161445
Monoisotopic Mass191.06161445
Topological Polar Surface Area56.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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