N,S-Diacetylcysteine

HCID 65690

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Basic information

CAS: 18725-37-6
Standard SMILES: CC(=O)N[C@@H](CSC(C)=O)C(=O)O
InChIKey: HSPYGHDTVQJUDE-LURJTMIESA-N
Molecular formula: C7H11NO4S
Average molar mass: 205.23 g/mol
Monoisotopic mass: 205.04087901

Overview

Dacisteine is a N-acyl-L-amino acid.

Names & identifiers

Preferred name: N,S-Diacetylcysteine
IUPAC: (2R)-2-acetamido-3-acetylsulfanylpropanoic acid
English name: dacisteine
Molecular formula: C7H11NO4S
Molecular weight: 205.23

Names & synonyms

Dacisteine18725-37-6N,S-DiacetylcysteineDacisteinaMucothiolDacisteinumWF970ATW3TDTXSID00172034RefChem:130715DTXCID5094525DTXCID00217954DTXSID10864852

Show more names

N,S-Diacetyl-S,N-Diacetyl-L-cysteineDacisteine, 10 mM in DMSOAcetylcysteine Impurity 36N-Acetyl-L-cysteine acetateAcetylcysteine EP IMpurity DAcetylcysteine impurity D CRS

242-537-5N,S-Diacetyl-L-cysteine(R)-2-acetamido-3-(acetylthio)propanoic acidDacisteine [INN]MFCD00152052(2R)-2-acetamido-3-acetylsulfanylpropanoic acidAc-Cys(Ac)-OH(2R)-2-acetamido-3-acetylsulfanyl-propanoic acid

Database identifiers

CAS: 18725-37-6
PubChem CID: 65690
DTXSID: DTXSID00172034
ChEMBL: CHEMBL2106099
ChEBI: CHEBI:134905
UNII: WF970ATW3T
EC Number: 242-537-5
Nikkaji: J222.285J

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 114 · 114-116°C
Boiling point: 446.8 · 446.8±40.0 °C(Predicted)
Density: 1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.15 · 3.15±0.10(Predicted)
color: White to Off-White
Major Application: (pharmaceutical small molecule)
InChI: InChI=1S/C7H11NO4S/c1-4(9)8-6(7(11)12)3-13-5(2)10/h6H,3H2,1-2H3,(H,8,9)(H,11,12)/t6-/m0/s1
InChIKey: HSPYGHDTVQJUDE-LURJTMIESA-N
SMILES: C(O)(=O)[C@H](CSC(C)=O)NC(C)=O
FDA UNII: 970 ATW3T · WF970ATW3T
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Other Safety InformationIMAP assessments - L-Cysteine, N-acetyl-, acetate (ester): Environment tier I assessment

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesN,S-Diacetyl-L-cysteine (Acetylcysteine EP Impurity D) is a double-prodrugs of L-cysteine: differential protection against acetaminophen-induced hepatotoxicity in mice (1,2,3).

Suppliers100 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Additional notes

DefinitionChEBI: Dacisteine is a N-acyl-L-amino acid.

Related reactions

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