Name: N-[2-[4-(2-DIETHYLAMINOETHOXY)PHENYL]-1-(DIPROPYLCARBAMOYL)ETHYL]BENZAMIDE HYDROCHLORIDE
SKU: 53567-47-8

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Basic Information

Molecular Structure:
CAS No.:	53567-47-8
Name:	N-[2-[4-(2-DIETHYLAMINOETHOXY)PHENYL]-1-(DIPROPYLCARBAMOYL)ETHYL]BENZAMIDE HYDROCHLORIDE

Formula:	C₂₈H₄₁N₃O₃^.HCl
Molecular Weight:	467.64
Synonyms:	Benzenepropanamide, α-(benzoylamino)-4-[2-(diethylamino)ethoxy]-N,N-dipropyl-,monohydrochloride (9CI);Benzenepropanamide, α-(benzoylamino)-4-[2-(diethylamino)ethoxy]-N,N-dipropyl-,monohydrochloride, (?à)-;Alfospas;Maiorad;Tiromid;N-[2-[4-(2-Diethylaminoethoxy)phenyl]-1-(dipropylcarbamoyl)ethyl]benzamide hydrochloride;
Density:	1.06 g/cm³
Melting Point:	180.0 to 184.0 °C
Boiling Point:	655 °C at 760 mmHg
Flash Point:	349.9 °C
PSA:	61.88000
LogP:	5.58980

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Specification

The Tiropramide hydrochloride, with the CAS registry number 53567-47-8, is also known as N-[2-[4-(2-Diethylaminoethoxy)phenyl]-1-(dipropylcarbamoyl)ethyl]benzamide hydrochloride. It belongs to the product category of Miscellaneous Biochemicals. This chemical's molecular formula is C₂₈H₄₁N₃O₃^.HCl and molecular weight is 467.64. What's more, its systematic name is Nα-Benzoyl-O-[2-(diethylamino)ethyl]-N,N-dipropyltyrosinamide hydrochloride (1:1).

Physical properties of Tiropramide hydrochloride are: (1)ACD/LogP: 5.128; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 4.04; (6)ACD/BCF (pH 7.4): 31.38; (7)ACD/KOC (pH 5.5): 12.77; (8)ACD/KOC (pH 7.4): 99.07; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 53.09 Å²; (13)Flash Point: 349.9 °C; (14)Enthalpy of Vaporization: 96.46 kJ/mol; (15)Boiling Point: 655 °C at 760 mmHg; (16)Vapour Pressure: 4.94E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N(CCC)CCC)C(NC(=O)c1ccccc1)Cc2ccc(OCCN(CC)CC)cc2
(2)Std. InChI: InChI=1S/C28H41N3O3.ClH/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);1H
(3)Std. InChIKey: SVCQSEFEZWMYSA-UHFFFAOYSA-N