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Basic information

  • Name:

  • Aceticacid, 2-[[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-

  • Superlist Name:
  • Erdosteine
  • CAS No.:

  • 84611-23-4

  • Formula:
  • C8H11NO4S2
  • Synonyms:
  • Aceticacid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]- (9CI);Dithiosteine;RV 144;Secresolv;

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Chemistry

Molecule structure of Erdosteine (CAS NO.84611-23-4):

IUPAC Name: 2-[2-Oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid 
Molecular Weight: 249.30724 g/mol
Molecular Formula: C8H11NO4S2 
Density: 1.48 g/cm3 
Melting Point: 156-160°C
Boiling Point: 590.4 °C at 760 mmHg 
Flash Point: 310.8 °C
Index of Refraction: 1.615
Molar Refractivity: 58.58 cm3
Molar Volume: 167.7 cm3
Surface Tension: 69.5 dyne/cm
Enthalpy of Vaporization: 96.22 kJ/mol
Vapour Pressure: 1.82E-15 mmHg at 25 °C
XLogP3: -0.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Tautomer Count: 4
Exact Mass: 249.012949
MonoIsotopic Mass: 249.012949
Topological Polar Surface Area: 83.5
Heavy Atom Count: 15
Canonical SMILES: C1CSC(=O)C1NC(=O)CSCC(=O)O
InChI: InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey: QGFORSXNKQLDNO-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent; Expectorants; Respiratory System Agents

Uses

Clinical studies in patients with chronic obstructive lung disease have demonstrated the efficacy and tolerability of erdosteine.
 Erdosteine (CAS NO.84611-23-4) is used as expectorant cough medicine for acute and chronic bronchitis, emphysema and other obstructive diseases.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 3500mg/kg (3500mg/kg)   Drugs under Experimental and Clinical Research. Vol. 14, Pg. 693, 1988.
 
mouse LD50 oral > 10gm/kg (10000mg/kg)   European Patent Application. Vol. #0061386,
rat LD50 intravenous > 3500mg/kg (3500mg/kg)   European Patent Application. Vol. #0061386,
rat LD50 oral > 10gm/kg (10000mg/kg)   European Patent Application. Vol. #0061386,

 

Specification

 Erdosteine (CAS NO.84611-23-4) is also named as ((2-Oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)acetic acid
(+-)-((((Tetrahydro-2-oxo-3-thienyl)carbamoyl)methyl)thio)acetic acid ; Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique ; Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique [French] ; DL-S-(2-(N-3-(2-
Oxotetrahydrotheinyl)acetamido))thioglycolic acid ; Erdosteinum ; Erdosteinum [Latin] ; PV 144 ; RV 144 ; UNII-76J0853EKA . Erdosteine (CAS NO.84611-23-4) is white or almost white crystalline powder.

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