CAS No.66644-81-3,N-(1-Allyl-2-pyrrolidinyl)methyl-2,3-dimethoxy-5-sulfamoylbenzamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66644-81-3
Name:	N-(1-Allyl-2-pyrrolidinyl)methyl-2,3-dimethoxy-5-sulfamoylbenzamide
Article Data:	1

Formula:	C₁₇H₂₅N₃O₅S
Molecular Weight:	383.469
Synonyms:	Benzamide,5-(aminosulfonyl)-2,3-dimethoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-(9CI);(?à)-Veralipride;Agreal;LIR 1660;Veralipride;
EINECS:	266-435-5
Density:	1.23 g/cm³
Melting Point:	128 °C
PSA:	119.34000
LogP:	2.84130

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Specification

The cas register number of Veralipride is 66644-81-3. It also can be called as N-(1-Allyl-2-pyrrolidinyl)methyl-2,3-dimethoxy-5-sulfamoylbenzamide and the Systematic name about this chemical is 2,3-dimethoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide. Classification Code about this chemical are Antipsychotic Agents, Central Nervous System Agents, Central Nervous System Depressants, Dopamine antagonist, Psychotropic Drugs and Tranquilizing Agents. This chemical can be used in treatment of menopausal disorders.

Physical properties about Veralipride are: (1)ACD/LogP: 0.49; (2)ACD/LogD (pH 5.5): -2.22; (3)ACD/LogD (pH 7.4): -0.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.76; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 87.77Å²; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 98.94 cm³; (14)Molar Volume: 311.7 cm³; (15)Polarizability: 39.22x10^-24cm³; (16)Surface Tension: 44.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N)c1cc(c(OC)c(OC)c1)C(=O)NCC2N(C\C=C)CCC2
(2)InChI: InChI=1/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
(3)InChIKey: RYJXBGGBZJGVQF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
(5)Std. InChIKey: RYJXBGGBZJGVQF-UHFFFAOYSA-N