ESKETAMINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H16ClNO
Molecular Weight	237.725
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESKETAMINE

Structure Search

SMILES

CN[C@@]1(CCCCC1=O)C2=C(Cl)C=CC=C2

InChI

InChIKey=YQEZLKZALYSWHR-ZDUSSCGKSA-N

InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H16ClNO
Molecular Weight	237.725
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:13:49 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:49 UTC 2023`
Record UNII	50LFG02TXD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESKETAMINE

Official Name

English

JNJ-54135419

Common Name

English

KETAMINE, (S)-

Common Name

English

KETAMINE, S-

Common Name

English

(2S)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone

Systematic Name

English

ESKETAMINE [USAN]

Common Name

English

KETAVED

Brand Name

English

S-KETAMINE

Common Name

English

Esketamine [WHO-DD]

Common Name

English

L-KETAMINE

Common Name

English

CYCLOHEXANONE, 2-(2-CHLOROPHENYL)-2-(METHYLAMINO)-, (2S)-

Systematic Name

English

CYCLOHEXANONE, 2-(2-CHLOROPHENYL)-2-(METHYLAMINO)-, (S)-

Systematic Name

English

KETA-S

Brand Name

English

esketamine [INN]

Common Name

English

KETAMINE S-ISOMER

Common Name

English

KETAMINE, (S)-

Common Name

English

(S)-2-(O-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXANONE

Common Name

English

Classification Tree Code System Code

WHO-ATC

N01AX14

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

NCI_THESAURUS

C245

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

WHO-VATC

QN01AX14

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

Code System Code Type Description

CHEBI

60799

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

WIKIPEDIA

ESKETAMINE

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

LACTMED

Esketamine

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

SMS_ID

100000089754

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

DRUG CENTRAL

4468

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

RXCUI

2119365

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

INN

7884

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

DRUG BANK

DB11823

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

EVMPD

SUB25825

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID6047810

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

FDA UNII

50LFG02TXD

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

ChEMBL

CHEMBL395091

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

CAS

33643-46-8

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

DAILYMED

50LFG02TXD

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

USAN

AB-57

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

PUBCHEM

182137

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

NCI_THESAURUS

C81400

Created by admin on Fri Dec 15 16:13:49 UTC 2023 , Edited by admin on Fri Dec 15 16:13:49 UTC 2023

PRIMARY

Related Record Type Details


					L8P1H35P2Z

ESKETAMINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					690G0D6V8H

KETAMINE

RACEMATE -> ENANTIOMER

Amount:


					4R3XO922WS

TARGET -> INHIBITOR

Comments:

Noncompetitive antagonists at the NMDA receptor via binding to an allosteric site distinct from the glutamate-binding site.This receptor is a critical modulator of CNS neurotransmission, and excitability changes produced by ketamine antagonism may explain the drug’s anesthetic and analgesic properties.

Interaction Type:

ALLOSTERIC INHIBITOR

Qualification:

Ki

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					50LFG02TXD

ACTIVE MOIETY

Amount: