Basic information
- Name:
Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, hydrochloride(1:1)
- Superlist Name:
- Sultopride hydrochloride
- CAS No.:
23694-17-9
- Molecular Structure:
![Molecular Structure of 23694-17-9 (Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, hydrochloride(1:1))](http://www.lookchem.com/300w/2010/0620/23694-17-9.jpg)
- Formula:
- C17H26N2O4S.HCl
- Molecular Weight:
- 390.93
- Synonyms:
- Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-,monohydrochloride (9CI);o-Anisamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-, monohydrochloride (8CI);Barnotil;N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-(ethylsulfonyl)benzamidehydrochloride;N-(1-Ethyl-2-pyrrolidinylmethyl)-5-ethylsulfonyl-2-methoxybenzamidehydrochloride;1-ethyl-2-({[5-(ethylsulfonyl)-2-methoxybenzoyl]amino}methyl)pyrrolidinium chloride;N-[(1-Ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride (1:1);benzamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, hydrochloride (1:1);Barnetil (TN);
- EINECS:
- 245-829-0
- Melting Point:
- 181-182 °C
- Boiling Point:
- 530 °C at 760 mmHg
- Flash Point:
- 274.3 °C
- Appearance:
- Crystalline solid
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Specification
The Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, hydrochloride(1:1), with the CAS registry number 23694-17-9 and EINECS registry number 245-829-0, has the systematic name of 1-ethyl-2-({[5-(ethylsulfonyl)-2-methoxybenzoyl]amino}methyl)pyrrolidinium chloride. It belongs to the following product categories: Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. And the molecular formula of the chemical is C17H26N2O4S.HCl.
The characteristics of Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, hydrochloride(1:1) are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.12; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.06 Å2; (13)Flash Point: 274.3 °C; (14)Enthalpy of Vaporization: 80.51 kJ/mol; (15)Boiling Point: 530 °C at 760 mmHg; (16)Vapour Pressure: 2.57E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].O=C(NCC1[NH+](CC)CCC1)c2cc(ccc2OC)S(=O)(=O)CC
(2)InChI: InChI=1/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H
(3)InChIKey: IGOWMQPOGQYFFM-UHFFFAOYAW
