Related Searches: Racecodotril

Racecodotril(CAS No. 81110-73-8)

Racecodotril C21H23NO4S (cas 81110-73-8) Molecular Structure

81110-73-8 Structure

Identification and Related Records

【Name】
Racecodotril
【Iupac name】
benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
【CAS Registry number】
81110-73-8
【Synonyms】
Glycine,N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester, (?à)-
Acetorphan
Cadotril
Racecadotril
Redotil
Tiorfan
【Molecular Formula】
C21H23NO4S (Products with the same molecular formula)
【Molecular Weight】
385.48
【Inchi】
InChI=1/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)
【Canonical SMILES】
CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
【MOL File】
81110-73-8.mol

Chemical and Physical Properties

【Appearance】
White to off-white crystalline power
【Density】
1.206
【Melting Point】
89℃
【Boiling Point】
574.5 °C at 760 mmHg
【Refractive Index】
1.601
【Flash Point】
301.2 °C
【Solubilities】
Insoluble
【Storage temp】
Store in original container in a cool dark place.
【Computed Properties】
Molecular Weight:385.47662 [g/mol]
Molecular Formula:C21H23NO4S
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:11
Tautomer Count:2
Exact Mass:385.134779
MonoIsotopic Mass:385.134779
Topological Polar Surface Area:97.8
Heavy Atom Count:27
Formal Charge:0
Complexity:485
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:12
Conformer Sampling RMSD:1.2
CID Conformer Count:279

Safety and Handling

【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 .

Use and Manufacturing

【Usage】

Antidiarrheal.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition.
- Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

Supplier Location

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