Basic information
- Name:
Alizapride hydrochloride
- CAS No.:
59338-87-3
- Molecular Structure:
- Formula:
- C16H21N5O2.HCl
- Molecular Weight:
- 351.83
- Synonyms:
- 1H-Benzotriazole-5-carboxamide,6-methoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-, monohydrochloride (9CI);Nausilen;Plitican;Vergentan;1H-Benzotriazole-5-carboxamide,6-methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-, hydrochloride (1:1);
- EINECS:
- 261-710-6
- Density:
- 1.224 g/cm3
- Boiling Point:
- 580.3 °C at 760 mmHg
- Flash Point:
- 304.8 °C
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Chemistry
IUPAC Name: 6-Methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide hydrochloride
Molecular Structure: 
Molecular Formula: C16H21N5O2.HCl
Molecular Weight: 351.83
CAS NO: 59338-87-3
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 63.49 Å2
Flash Point: 315.2 °C
Enthalpy of Vaporization: 90.65 kJ/mol
Boiling Point: 597.6 °C at 760 mmHg
Vapour Pressure: 1.47E-14 mmHg at 25°C
SMILES: Cl.O=C(c2cc1nnnc1cc2OC)NCC3N(C\C=C)CCC3
InChI: InChI=1/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H
InChIKey: BRECEDGYMYXGNF-UHFFFAOYAB
Std. InChI: InChI=1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H
Std. InChIKey: BRECEDGYMYXGNF-UHFFFAOYSA-N
Synonyms of Alizapride hydrochloride (CAS NO.59338-87-3): 6-Methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide hydrochloride ; Alizapride HCl ; Limican ; Pliyivsn ;1H-Benzotriazole-5-carboxamide, 6-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-, monohydrochloride
