ETOXADROL HYDROCHLORIDE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H23NO2.ClH
Molecular Weight	297.82
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETOXADROL HYDROCHLORIDE, (±)-

Structure Search

SMILES

Cl.[H][C@@]1(CO[C@@](CC)(O1)C2=CC=CC=C2)[C@]3([H])CCCCN3

InChI

InChIKey=YXNTVNNAXUKHQM-CLUYDPBTSA-N

InChI=1S/C16H23NO2.ClH/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15+,16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H23NO2
Molecular Weight	261.3593
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16169732 | https://www.ncbi.nlm.nih.gov/pubmed/5921 | https://www.ncbi.nlm.nih.gov/pubmed/6118431 | https://www.ncbi.nlm.nih.gov/pubmed/4085541

Etoxadrol is an NMDA receptor antagonist. It exerts phencyclidine-like properties. Etoxadrol has anticonvulsant and anesthetic activity. Intravenous etoxadrol was clinically tested as an anesthetic.

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Glutamate [NMDA] receptor 125 Target ID: CHEMBL2094124 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16169732	Antagonist 2778		19.8 null [Ki]

PubMed

Title	Date	PubMed
Effects of intravenous anesthetics on continuous avoidance behavior in the rat.	1976 Feb	5976
Clinical investigation of a new intravenous anesthetic--etoxadrol hydrochloride (CL-1848; U-37862A).	1976 May-Jun	5921
Discriminative stimulus and reinforcing properties of etoxadrol and dexoxadrol in monkeys.	1982 Jan	6118431
Synthesis, absolute configuration, and molecular modeling study of etoxadrol, a potent phencyclidine-like agonist.	1988 Dec	2903930

Sample Use Guides

In Vivo Use Guide

0.75 mg/kg

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:10:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:10:16 GMT 2023`
Record UNII	9A5JD3CML6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETOXADROL HYDROCHLORIDE, (±)-

Common Name

English

PIPERIDINE, 2-(2-ETHYL-2-PHENYL-1,3-DIOXOLAN-4-YL)-, (2.ALPHA.,4.BETA.(R*))-(±)-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

20056543

Created by admin on Fri Dec 15 15:10:16 GMT 2023 , Edited by admin on Fri Dec 15 15:10:16 GMT 2023

PRIMARY

FDA UNII

9A5JD3CML6

Created by admin on Fri Dec 15 15:10:16 GMT 2023 , Edited by admin on Fri Dec 15 15:10:16 GMT 2023

PRIMARY

CAS

2650241-86-2

Created by admin on Fri Dec 15 15:10:16 GMT 2023 , Edited by admin on Fri Dec 15 15:10:16 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

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Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/16169732 | https://www.ncbi.nlm.nih.gov/pubmed/5921 | https://www.ncbi.nlm.nih.gov/pubmed/6118431 | https://www.ncbi.nlm.nih.gov/pubmed/4085541

CNS Activity

Approval Year

Targets

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16169732 | https://www.ncbi.nlm.nih.gov/pubmed/5921 | https://www.ncbi.nlm.nih.gov/pubmed/6118431 | https://www.ncbi.nlm.nih.gov/pubmed/4085541