Basic information
- CAS
10128-36-6- Standard SMILES
CCNCC(O)c1cccc(O)c1- InChIKey
SQVIAVUSQAWMKL-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
3-[2-(ethylamino)-1-hydroxyethyl]phenol is a member of phenols.
Names & identifiers
- Preferred name
- Etilefrine
- IUPAC
- 3-[2-(ethylamino)-1-hydroxyethyl]phenol
- English name
- ETILEFRINE-D5
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
EtilefrineEtilefrin709-55-73-[2-(Ethylamino)-1-hydroxyethyl]phenolN-EthylnorphenylephrineEthylphenylephrineEthyladrianolEtilefrinadl-Etilefrin(+-)-EtilefrineEthylefrineEtilefrinum
Show more names
Ethylephrine hydrochlorideS 40032-7Aids001656EtilephrineAids-001656EtiladrianolEtilefrin-d5
CorcanfolEthylnorphenylephrine1-(3-Hydroxyphenyl)-2-(ethylamino)ethanolalpha-((Ethylamino)methyl)-m-hydroxybenzyl alcoholZB6F8MY53VS 40032alpha-(m-Hydroxyphenyl)-beta-(ethylamino)ethanolBenzenemethanol, alpha-((ethylamino)methyl)-3-hydroxy-
Database identifiers
- CAS
10128-36-6、709-55-7- PubChem CID
- 3306
- DTXSID
DTXSID1023029- ChEMBL
CHEMBL86882- ChEBI
CHEBI:91518- UNII
- ZB6F8MY53V
- EC Number
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Sympathomimetics
Pharmaceuticals
Solubility18.9 [ug/mL] (The mean of the results at pH 7.4)
Human DrugsPharmaceuticals
Melting Point208-209
Physicochemical properties
- Melting point
- 147 · 147-148°
- Boiling point
- 314.35 °C · 314.35°C (rough estimate)
- Density
- 1.0918 · 1.0918 (rough estimate)
- refractive index
- 1.5464 · 1.5464 (estimate)
- pka
- 9.81 · 9.81±0.10(Predicted)
- form
- Solid
- color
- Off-white to pink
- LogP
- 3.2 at · 3.2 at 25℃ and pH5.5
- FDA UNII
- 6 F8MY53V · ZB6F8MY53V
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Etilefrine (EC: 211-910-4)
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P501
Chemistry & industry
Pharmacology
ATC Code
C01CA01
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs used to cause constriction of the blood vessels.
Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Use ClassificationPharmaceuticals
Applications
UsesEtilefrin is a sympathomimetic drug that increases the pulse rate, cardiac output, stroke volume, central venous pressure and mean arterial pressure of healthy individuals. Etilefrin has both beta 1 and alpha adrenergic effects on humans and is mainly used for the treatment of patients with orthostatic hypotension.
UsesETILEFRINE-D5 is a sympathomimetic drug that increases the pulse rate, cardiac output, stroke volume, central venous pressure and mean arterial pressure of healthy individuals. Etilefrin has both beta 1 and alpha adrenergic effects on humans and is mainly used for the treatment of patients with orthostatic hypotension.
Upstream & downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…