Decloxizine Dihydrochloride
PubChem CID
83104
Structure
Molecular Formula
Synonyms
- 13073-96-6
- Decloxizine Dihydrochloride
- Hydroxydiethylphenamine
- Decloxizine (dihydrochloride)
- 2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol dihydrochloride
Molecular Weight
413.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-11
See also: Decloxizine (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RBSDUJACXBVDDN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H30Cl2N2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
13073-96-6
3733-63-9 (Parent)
- 13073-96-6
- Decloxizine Dihydrochloride
- Hydroxydiethylphenamine
- Decloxizine (dihydrochloride)
- 2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol dihydrochloride
- Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
- 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride
- 2-(2-(4-(Diphenylmethyl)-1-piperazinyl)ethoxy)ethanol dihydrochloride
- DECLOXIZIN HYDROCHLORIDE
- 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol dihydrochloride
- DTXSID20156699
- 2-[2-[4-(Diphenylmethyl)piperazin-1-yl]ethoxy]ethanol Dihydrochloride (Decloxizine Dihydrochloride)
- Ethanol, 2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride
- Decloxizine diHCl
- DecloxizineDihydrochloride
- BCP29896
- HY-A0075
- AKOS015963273
- CS-3438
- AC-19953
- AC-28133
- AS-12324
- DA-62739
- D82636
- Decloxizin 2HCl;Decloxizine hydrochloride;UCB 1402 dihydrochloride;UCB1402 dihydrochloride;UCB-1402 dihydrochloride
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
413.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
412.1684336 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
412.1684336 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
35.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
328
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Decloxizine (annotation moved to)
- ChemIDplusHydroxydiethylphenaminehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0013073966ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxHydroxydiethylphenaminehttps://comptox.epa.gov/dashboard/DTXSID20156699CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- WikidataDecloxizine hydrochloridehttps://www.wikidata.org/wiki/Q72461689
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
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