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Cas Database |
| Name |
Racecadotril |
EINECS | 688-010-7 |
| CAS No. | 81110-73-8 | Density | 1.206 g/cm3 |
| PSA | 97.77000 | LogP | 3.37550 |
| Solubility | N/A | Melting Point |
89 °C |
| Formula | C21H23NO4S | Boiling Point | 574.5 °C at 760 mmHg |
| Molecular Weight | 385.484 | Flash Point | 301.2 °C |
| Transport Information | N/A | Appearance | White to off-white crystalline power |
| Safety | 60-61 | Risk Codes | 22-50/53 |
| Molecular Structure |
|
Hazard Symbols | Xn,N |
| Synonyms |
Glycine,N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester, (?à)-;Acetorphan;Cadotril;Racecadotril;Redotil;Tiorfan; |
Article Data | 11 |
Racecadotril Chemical Properties
Product Name: Racecodotril (CAS NO.81110-73-8)
Molecular Formula: C21H23NO4S
Molecular Weight: 385.476620 g/mol
Appearance:White crystal
Melting Point: 89°C
Density: 1.206
Boiling Point: 574.5 °C at 760 mmHg
Flash Point: 301.2 °C
Index of Refraction: 1.578
Molar Refractivity: 106.1 cm3
Molar Volume: 319.3 cm3
Surface Tension: 49 dyne/cm
Enthalpy of Vaporization: 86.07 kJ/mol
Vapour Pressure: 3.34E-13 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Racecodotril (CAS NO.81110-73-8):
IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Canonical SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChIKey: ODUOJXZPIYUATO-UHFFFAOYSA-N
Product Categories: Antidiarrheal
Racecadotril Uses
Racecodotril (CAS NO.81110-73-8) is antidiarrheal.
Racecadotril Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intravenous | > 77mg/kg (77mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 45, Pg. 186, 1993. |
Racecadotril Specification
Racecodotril , its CAS NO. is 81110-73-8, the synonyms are (+-)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester ; (+-)-N-(alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester) ; Acetorphan ; Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester .
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