Decloxizine
Basic information
- CAS
3733-63-9- Standard SMILES
OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
OXBBIHZWNDPBMQ-UHFFFAOYSA-N- Molecular formula
- C21H28N2O2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.21507814
Overview
Decloxizine is a small molecule drug. Decloxizine has a monoisotopic molecular weight of 340.22 Da.
Names & identifiers
- Preferred name
- Decloxizine
- IUPAC
- 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol
- English name
- Decloxizine
- Molecular formula
- C21H28N2O2
- Molecular weight
- 340.46
Names & synonyms
Decloxizine3733-63-92-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanolUCB 1402Decloxizine [INN]Decloxizina2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanolEthanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-MFCD00869150Decloxazine1-Benzhydryl-4-(2-(2-hydroxyethoxy)ethyl)piperazineUCB-1402
Show more names
NSC289116NSC 289116DecloxizinDecloxizin HCLDecloxizine Base
NSC-289116Decloxizine-d8Dihydrochloride919C49XAYD2-(2-(4-Benzhydryl-1-piperazinyl)ethoxy)ethanol2-(2-((4-Diphenylmethyl)-1-piperazinyl)ethoxy)ethanol2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]ethanol1-(Diphenylmethyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine2-[2-(4-benzhydryl-1-piperazinyl)ethoxy]ethanol
Database identifiers
- CAS
3733-63-9- PubChem CID
- 71135
- DTXSID
DTXSID40190777- ChEMBL
CHEMBL2106665- UNII
- 919C49XAYD
- Nikkaji
- J8.223F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 476.25 °C · 476.25°C (rough estimate)
- Density
- 1.1027 · 1.1027 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 14.41 · 14.41±0.10(Predicted)
- color
- Light Beige to Beige
- CAS DataBase Reference
- 3733 · 3733-63-9(CAS DataBase Reference)
- FDA UNII
- 919 C49XAYD · 919C49XAYD
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 840 mg/kg ARZNAD 18,1002,68
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDecloxizine is a histamine 1 receptor antagonist. Hydroxyzine (H996500) impurity.
Related reactions
15 records
Compound notes
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