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CAS No.: | 84611-23-4 |
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Name: | Erdosteine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H11NO4S2 |
Molecular Weight: | 249.312 |
Synonyms: | Aceticacid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]- (9CI);Dithiosteine;RV 144;Secresolv; |
EINECS: | 642-172-5 |
Density: | 1.48 g/cm3 |
Melting Point: | 156-160 °C |
Boiling Point: | 590.4 °C at 760 mmHg |
Flash Point: | 310.8 °C |
Appearance: | white or almost white crystalline powder |
Risk Codes: | R36/37/38 |
PSA: | 134.07000 |
LogP: | 0.34340 |
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
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.
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, |
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.