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| CAS No.: | 943-17-9 |
|---|---|
| Name: | Etilefrine hydrochloride |
| Molecular Structure: | |
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| Formula: | C10H16ClNO2 |
| Molecular Weight: | 217.696 |
| Synonyms: | Benzenemethanol,a-[(ethylamino)methyl]-3-hydroxy-,hydrochloride (9CI);Benzyl alcohol, a-[(ethylamino)methyl]-m-hydroxy-, hydrochloride(6CI,8CI);Apocretin;Circupon;Effontil;Effortilvet;Ethyl adrianol;Ethylephrine hydrochloride;Eti-Puren;Funasol;Kertasin;Phetanol;Pulsamin;Tonus-Forte;Updormin;dl-1-(3-Hydroxyphenyl)-1-hydroxy-2-ethylaminoethane hydrochloride;dl-Ethylphenylephrine hydrochloride; |
| EINECS: | 213-398-8 |
| Density: | 1.127g/cm3 |
| Melting Point: | 122 °C |
| Boiling Point: | 351.7 °C at 760 mmHg |
| Flash Point: | 155.5 °C |
| Appearance: | white |
| PSA: | 57.07000 |
| LogP: | -2.98710 |
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- 943-17-9
Apocretin
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; sodium iodide In N,N-dimethyl-formamide at 100℃; for 10h; | 94% |
- 943-17-9
Apocretin
- 119610-62-7
N-Ethyl-2-chloro-2-(3-hydroxyphenyl)ethylamine hydrochloride
| Conditions | Yield |
|---|---|
| With thionyl chloride In benzene at 40 - 45℃; for 1h; | 46% |
- 943-17-9
Apocretin
- 119610-65-0
1-(3-Hydroxyphenyl)-2-ethylaminoethylthiophosphoric acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 46 percent / SOCl2 / benzene / 1 h / 40 - 45 °C 2: 18 percent / Na3SPO3*12H2O / H2O / 4 h View Scheme |
- 943-17-9
Apocretin
- 119610-63-8
1-(3-Hydroxyphenyl)-2-ethylaminoethylthiosulfuric acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 46 percent / SOCl2 / benzene / 1 h / 40 - 45 °C 2: 57 percent / Na2S2O3*5H2O / H2O / 1.) 40 deg C, 3 h, 2.) 60 deg C, 4 h View Scheme |
- 943-17-9
Apocretin
- 307975-81-1
Cu(α-[(etylamino)methyl]-3-hydroxy-benzenemethanol)2
| Conditions | Yield |
|---|---|
| In water at excess of ligand (1:2-1:10) and pH=10.5; |
| Conditions | Yield |
|---|---|
| With NaOH In methanol ligand dissolved in MeOH, added methanolic solns. of CuCl2*2H2O and NaOHat molar ratio Cu-ligand-NaOH=1:2:2, allowed to stand for 3 d; filtered, washed with MeOH, dried over P2O5, elem. anal.; |
| Conditions | Yield |
|---|---|
| With NaOH In methanol ligand dissolved in MeOH, added methanolic solns. of CuCl2*2H2O and NaOHat molar ratio Cu-ligand-NaOH=1:10:20, allowed to stand for 4 mo; filtered, washed, dried over P2O5, elem. anal.; |
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Chemistry
Product Name: Etilefrine hydrochloride (CAS NO.943-17-9)
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MF: C10H16ClNO2
MW: 217.69
Melting Point: 122 °C
EINECS: 213-398-8
Flash Point: 155.5 °C
Enthalpy of Vaporization: 62.94 kJ/mol
Boiling Point: 351.7 °C at 760 mmHg
Vapour Pressure: 1.5E-05 mmHg at 25°C
H-Bond Donor: 4
H-Bond Acceptor: 3
Structure Descriptors of Etilefrine hydrochloride (CAS NO.943-17-9):
IUPAC Name: 3-[2-(ethylamino)-1-hydroxyethyl]phenol hydrochloride
Canonical SMILES: CCNCC(C1=CC(=CC=C1)O)O.Cl
InChI: InChI=1S/C10H15NO2.ClH/c1-2-11-7-10(13)8-4-3-5-9(12)6-8;/h3-6,10-13H,2,7H2,1H3;1H
InChIKey: KTNROWWHOBZQGK-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
Toxicity Data With Reference
| 1. | orl-rat LDLo:187 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),413. | ||
| 2. | ivn-rat LDLo:5 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),413. | ||
| 3. | orl-mus LDLo:345 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),413. | ||
| 4. | ivn-mus LDLo:11 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),413. |
Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S.
Safety information of Etilefrine hydrochloride (CAS NO.943-17-9):
RTECS DO5618000
Specification
Etilefrine hydrochloride , its CAS NO. is 943-17-9, the synonyms are alpha.-[(Ethylamino)methyl]-3-hydroxybenzenemethanol hydrochloride ; 3-[2-(ethylamino)-1-hydroxyethyl]phenol hydrochloride ; Effortil ; Efortil ; Etilefrin dl-form hydrochloride ; ( -)-Ethylphenylephrine hydrochloride ; ( -)-N-Ethylnorphenylephrine hydrochloride ; 1-(3-Hydroxyphenyl)-2-ethylaminoethanol hydrochloride .