ChemicalBook--->CAS DataBase List--->14226-97-2

14226-97-2

14226-97-2 Structure

14226-97-2 Structure
IdentificationBack Directory
[Name]

3-OXO-5-CARBOXYPERHYDRO-1,4-THIAZINE
[CAS]

14226-97-2
[Synonyms]

Cysteine Impurity 2
Carbocisteine Impurity 9
Carbocysteine impurity A
Carbocysteine Impurity 2
Carbocisteine Impurity A
(RS)-carbocystein e lactam
Acetylcysteine Impurity 24
3-OXO-5-CARBOXYPERHYDRO-1,4-THIAZINE
5-OXO-THIOMORPHOLINE-3-CARBOXYLIC ACID
3-Thiomorpholinecarboxylic acid, 5-oxo-
Lactam of (S)-Carboxymethyl-(D,L)-cysteine
[Molecular Formula]

C5H7NO3S
[MDL Number]

MFCD00671711
[MOL File]

14226-97-2.mol
[Molecular Weight]

161.18
Chemical PropertiesBack Directory
[Melting point ]

154 - 156°C
[Boiling point ]

530.3±50.0 °C(Predicted)
[density ]

1.455±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

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

Solid
[pka]

3.26±0.20(Predicted)
[color ]

Pale Beige to Pale Brown
[InChI]

InChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
[InChIKey]

ZCITVSIKDJSWSS-UHFFFAOYSA-N
[SMILES]

N1C(=O)CSCC1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

5-?Oxothiomorpholine-?3-?carboxylic Acid is an impurity of Carbocistene (C178760), a mucolytic agent used in the treatment of respiratory disorders ranging from the influenza virus infection to chronic obstructive pulmonary disease (COPD).
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