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84611-22-3

84611-22-3 Structure

84611-22-3 Structure
IdentificationBack Directory
[Name]

N-CHLOROACETYL-DL-HOMOCYSTEINE THIOLACTONE
[CAS]

84611-22-3
[Synonyms]

Erdosteine Impurity 8
2-Chloro-N-(2-oxotetrahydrothiophen
2-CHLORO-N-(2-OXO-3-THIENYL)ACETAMIDE
N-Chloroacetyl Homocysteine Thiolactone
2-chloro-N-(2-oxothiolan-3-yl)acetamide
2-chloro-N-(2-oxothiolan-3-yl)ethanamide
N-CHLOROACETYL-DL-HOMOCYSTEINE THIOLACTONE
3-(ChloroacetaMido)dihydro-2(3H)-Thiophenone
2-chloro-N-(2-oxotetrahydro-3-thienyl)acetamide
2-Chloro-N-(tetrahydro-2-oxo-3-thienyl)acetamide
AcetaMide,2-chloro-N-(tetrahydro-2-oxo-3-thienyl)-
2-chloro-N-(2-oxo-3-tetrahydrothiophenyl)acetamide
2-chloro-N-(2-ketotetrahydrothiophen-3-yl)acetamide
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C6H8ClNO2S
[MDL Number]

MFCD07393747
[MOL File]

84611-22-3.mol
[Molecular Weight]

193.65
Chemical PropertiesBack Directory
[Melting point ]

120 - 122oC
[Boiling point ]

456.2±45.0 °C(Predicted)
[density ]

1.40
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.39±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)
[InChIKey]

OSXVVUUZQNPXHC-UHFFFAOYSA-N
[SMILES]

C(NC1CCSC1=O)(=O)CCl
Safety DataBack Directory
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

An intermediate in the synthesis of Erdosteine (E596050).Erdosteine is a mucolytic agent used for the treatment of chronic obstructive bronchitis.
[Uses]

N-Chloroacetyl DL-HoMocysteine Thiolactone is an intermediate in the synthesis of Erdosteine (E596050). Erdosteine is a mucolytic agent used for the treatment of chronic obstructive bronchitis.
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