Decloxizine

HCID 71135CAS 3733-63-9
Substructure searchFind similar structures

Basic information

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-289116C21H28N2O2Decloxizine-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)piperazine

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

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

Safety & regulation

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.

Suppliers50 total

广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

15 records
New reaction record

Linked notes

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