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Name |
Tiropramide |
EINECS | N/A |
CAS No. | 55837-29-1 | Density | 1.06g/cm3 |
PSA | 61.88000 | LogP | 4.78780 |
Solubility | N/A | Melting Point |
65-67° |
Formula | C28H41 N3 O3 | Boiling Point | 655°C at 760 mmHg |
Molecular Weight | 467.652 | Flash Point | 349.9°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenepropanamide,a-(benzoylamino)-4-[2-(diethylamino)ethoxy]-N,N-dipropyl-,(?à)-; (?à)-Tiropramide; CR 605; Tiropramide |
Molecule structure of Tiropramide (CAS NO.55837-29-1) :
IUPAC Name: N-[3-[4-(2-diethylaminoethyloxy)phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Molecular Weight: 467.64344 g/mol
Molecular Formula: C28H41N3O3
Density: 1.06 g/cm3
Boiling Point: 655 °C at 760 mmHg
Flash Point: 349.9 °C
Index of Refraction: 1.541
Molar Refractivity: 138.69 cm3
Molar Volume: 441 cm3
Polarizability: 54.98×10-24 cm3
Surface Tension: 41.6 dyne/cm
Enthalpy of Vaporization: 96.46 kJ/mol
Vapour Pressure: 4.94E-17 mmHg at 25 °C
XLogP3-AA: 5.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 15
Tautomer Count: 2
Exact Mass: 467.314792
MonoIsotopic Mass: 467.314792
Topological Polar Surface Area: 61.9
Heavy Atom Count: 34
Complexity: 561
Undefined Atom StereoCenter Count: 1
Covalently-Bonded Unit Count: 1
Canonical SMILES: CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)
InChIKey: FDBWMYOFXWMGEY-UHFFFAOYSA-N
1. | orl-rat LD50:800 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
2. | ipr-rat LD50:140 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
3. | scu-rat LD50:430 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
4. | ivn-rat LD50:33,900 µg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4004008 . | ||
5. | orl-mus LD50:550 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
6. | ipr-mus LD50:120 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
7. | scu-mus LD50:245 mg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. | ||
8. | ivn-mus LD50:40,500 µg/kg | DRFUD4 Drugs of the Future. 7 (1982),413. |
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Tiropramide (CAS NO.55837-29-1) is also called (+-)-alpha-(Benzoylamino)-4-(2-(diethylamino)ethoxy)-N,N-dipropylbenzenepropanamide ; BRN 4162600 ; CR-605 ; DL-alpha-Benzamido-p-(2-(diethylamino)ethoxy)-N,N-
dipropylhydrocinnamamide ; DL-alpha-Benzamido-para-(2-(diethylamino)ethoxy)-N,N-dipropylhydrocinnamamide ; Maiorad ; O-(Diethylaminoethyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide ; Tiropramida [INN-Spanish] ; Tiropramida [Spanish] ; Tiropramidum [INN-Latin] .