Dioxethedrin
Basic information
- CAS
497-75-6- Standard SMILES
CCNC(C)C(O)c1ccc(O)c(O)c1- InChIKey
OHDICGSRVLBVLC-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Overview
Dioxethedrin is an alkylbenzene.
Names & identifiers
- Preferred name
- Dioxethedrin
- IUPAC
- 4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol
- English name
- dioxethedrin
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
DioxethedrinDioxethedrine497-75-6DioxetedrinaDioxethedrinum1-(3,4-Dihydroxyphenyl)-2-ethylaminopropan-1-ol82J92E653W1,2-Benzenediol, 4-(2-(ethylamino)-1-hydroxypropyl)-C-247DTXSID00862044RefChem:134577DTXCID30810871
Show more names
4-[2-(ethylamino)-1-hydroxy-propyl]pyrocatechol4-[2-(Ethylamino)-1-hydroxypropyl]-1,2-benzenediol4-[2-(ethylamino)-1-hydroxy-propyl]benzene-1,2-diol1,2-Benzenediol, 4-[2-(ethylamino)-1-hydroxypropyl]-
207-849-84-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diolDioxethedrin [INN]Dioxetedrina [INN-Spanish]Dioxethedrine [INN-French]Dioxethedrinum [INN-Latin]UNII-82J92E653WN-Ethyl-3,4-dihydroxynorephedrin
Database identifiers
- CAS
497-75-6- PubChem CID
- 71632
- DTXSID
DTXSID00862044- ChEMBL
CHEMBL2110629- ChEBI
CHEBI:134881- UNII
- 82J92E653W
- EC Number
- 207-849-8
- Nikkaji
- J6.103D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 417.5 · 417.5±40.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 9.49 · 9.49±0.10(Predicted)
- color
- White to Pale Yellow
- Stability
- Hygroscopic, Moisture Sensitive
- FDA UNII
- 82 J92E653W · 82J92E653W
Chemistry & industry
Applications
UsesDioxethedrine is a dihydroxy N-ethyl analogue of Ephedrine (E575000). Dioxethedrine is a bronchodilator.
Additional notes
DefinitionChEBI: Dioxethedrin is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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