- Alverine
- Alverine citrate
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Cas Database |
| Name |
Alverine citrate |
EINECS | 226-929-3 |
| CAS No. | 5560-59-8 | Density | N/A |
| PSA | 135.37000 | LogP | 3.32540 |
| Solubility | N/A | Melting Point |
100-102° |
| Formula | C20H27N.C6H8O7 | Boiling Point | 358.8 °C at 760 mmHg |
| Molecular Weight | 473.566 | Flash Point | 174.4 °C |
| Transport Information | N/A | Appearance | COA |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alverine citrate [USAN];Alverine citrate(USAN);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate (1:1) (8CI);N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;Dipropylamine, N-ethyl-3,3-diphenyl-;N-Ethyl-3, 3-diphenyldipropylamine citrate (1:1);Prestwick_912;Benzenepropanamine,N-ethyl-N-(3-phenylpropyl)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate (1:1);Alverine dihydrogen citrate;Benzenepropanamine, N-ethyl-N- (3-phenylpropyl)-, 2-hydroxy-1,2, 3-propanetricarboxylate (1:1);150-59-4;Antispasmin;Dipropylamine, N-ethyl-3, 3-diphenyl-, citrate;N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid;Alverine citrate salt;N-Ethyl-3,3-diphenyldipropylamine;Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI);Spacolin;Gamatran citrate;N-Ethyl-bis(3-phenylpropyl)amin-dihydrogencitrat;N-Ethyl-3,3-diphenyldipropylamine citrate (1:1);Dipropylamine, N-ethyl-3,3-diphenyl-, citrate;NCI 85x; |
Article Data | 3 |
Alverine citrate Synthetic route
| Conditions | Yield |
|---|---|
| In ethyl acetate; isopropyl alcohol at 45 - 50℃; Solvent; Temperature; | 92% |
| In ethanol at 20℃; | 66.9% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrabutylammomium bromide; sodium hydroxide / 85 - 90 °C 2: ethanol / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: triethylamine / dichloromethane / 0 - 30 °C 2: sodium bromide / N,N-dimethyl-formamide / 25 - 30 °C 3: N-benzyl-N,N,N-triethylammonium chloride; triethylamine / N,N-dimethyl-formamide; water / 10 - 40 °C 4: ethyl acetate; isopropyl alcohol / 45 - 50 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: sulfuric acid; sodium bromide / water / 20 °C / Reflux 2.1: tetrabutylammomium bromide; sodium hydroxide / 85 - 90 °C 2.2: 6 h / 15 °C View Scheme |
- 69804-99-5
3-phenylpropanol methanesulfonate
- 5560-59-8
alverine citrate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium bromide / N,N-dimethyl-formamide / 25 - 30 °C 2: N-benzyl-N,N,N-triethylammonium chloride; triethylamine / N,N-dimethyl-formamide; water / 10 - 40 °C 3: ethyl acetate; isopropyl alcohol / 45 - 50 °C View Scheme |
- 637-59-2
1-Bromo-3-phenylpropane
- 557-66-4
ethanamine hydrochloride
- 77-92-9
citric acid
- 5560-59-8
alverine citrate
| Conditions | Yield |
|---|---|
| Stage #1: 1-Bromo-3-phenylpropane; ethanamine hydrochloride With tetrabutylammomium bromide; sodium hydroxide at 85 - 90℃; Stage #2: citric acid In ethanol at 15℃; for 6h; Temperature; | 10.48 g |
Alverine citrate Chemical Properties
Molecular Formula: C26H35NO7
Molar mass: 473.5586 g/mol
EINECS: 226-929-3
Density: 1.27 g/cm3
Flash Point: 174.4 °C
Index of Refraction: 1.633
Boiling Point: 358.8 °C at 760 mmHg
Vapour Pressure: 2.48E-05 mmHg at 25°C
Structure of Alverine citrate (5560-59-8):
H-Bond Donor: 4
H-Bond Acceptor: 8
SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.c1ccccc1CCCN(CC)CCCc2ccccc2
InChI: InChI=1/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: RYHCACJBKCOBTJ-UHFFFAOYAQ
Std. InChI: InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Std. InChIKey: RYHCACJBKCOBTJ-UHFFFAOYSA-N
Alverine citrate Specification
Alverine citrate (5560-59-8) is sulfur compounds for synthesis which also can be called for Bis(g-phenylpropyl)ethylamine Citrate ; Gamatran ; Profenine ; Di(phenylpropyl)ethylamine Citrate ; Calmabel ; Profenil .
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