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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16ClNO.ClH
Molecular Weight 274.186
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESKETAMINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=VCMGMSHEPQENPE-ZOWNYOTGSA-N
InChI=1S/C13H16ClNO.ClH/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;1H/t13-;/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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:23:56 UTC 2023
Edited
by admin
on Fri Dec 15 15:23:56 UTC 2023
Record UNII
L8P1H35P2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESKETAMINE HYDROCHLORIDE
EP   MART.   USAN   WHO-DD  
USAN  
Official Name English
ESKETAMINE HYDROCHLORIDE [MART.]
Common Name English
ESKETAMINE HYDROCHLORIDE [USAN]
Common Name English
CYCLOHEXANONE, 2-(2-CHLOROPHENYL)-2-(METHYLAMINO)-, HYDROCHLORIDE (1:1), (2S)-
Systematic Name English
SPRAVATO
Brand Name English
ESKETAMINE HYDROCHLORIDE [EP MONOGRAPH]
Common Name English
ESKETAMINE HYDROCHLORIDE [JAN]
Common Name English
(S)-(+)-KETAMINE HYDROCHLORIDE
Common Name English
ESKETAMINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
KETANEST S
Brand Name English
KETAMINE HYDROCHLORIDE, S-
Common Name English
Esketamine hydrochloride [WHO-DD]
Common Name English
(+)-(S)-KETAMINE HYDROCHLORIDE
Common Name English
(2S)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride
Systematic Name English
KETAMINE HYDROCHLORIDE, (S)-
Common Name English
AM-101
Code English
AM-101 (ESKETAMINE HYDROCHLORIDE GEL)
Common Name English
Code System Code Type Description
DRUG BANK
DBSALT002086
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
CAS
33643-47-9
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
FDA UNII
L8P1H35P2Z
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
PUBCHEM
44632368
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
DAILYMED
L8P1H35P2Z
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
SMS_ID
100000091708
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
NCI_THESAURUS
C175718
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
RXCUI
2119366
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
EVMPD
SUB25811
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
CHEBI
60800
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID601027734
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL395091
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
USAN
AB-58
Created by admin on Fri Dec 15 15:23:56 UTC 2023 , Edited by admin on Fri Dec 15 15:23:56 UTC 2023
PRIMARY
Related Record Type Details
Structure of ESKETAMINE
PARENT -> SALT/SOLVATE
Structure of KETAMINE HYDROCHLORIDE
RACEMATE -> ENANTIOMER
Related Record Type Details
Structure of 3-Chlorobenzonitrile
IMPURITY -> PARENT
Structure of CHLOROCYCLOPENTANE
IMPURITY -> PARENT
Structure of (2-CHLOROPHENYL) (1-HYDROXYCYCLOPENTYL) KETONE
IMPURITY -> PARENT
Structure of 2-CHLOROPHENYL CYCLOPENTYL KETONE
IMPURITY -> PARENT
Structure of N-Nitroso-esketamine
IMPURITY -> PARENT
Structure of 1-Bromocyclopentyl 2-chlorophenyl ketone
IMPURITY -> PARENT
Structure of N-nitroso-ketamine
IMPURITY -> PARENT
Structure of CYCLOPENTANE
IMPURITY -> PARENT
Structure of O-CHLOROBENZALDEHYDE
IMPURITY -> PARENT
Structure of 2-CHLOROPHENYL CYCLOPENTYL KETONE
PARENT -> IMPURITY
Structure of 2-Chlorobenzonitrile
IMPURITY -> PARENT
Structure of 3-CHLOROBENZALDEHYDE
IMPURITY -> PARENT
Structure of CYCLOPENTANOL
IMPURITY -> PARENT
Structure of CYCLOPENTANOL
PARENT -> IMPURITY
Structure of 4-CHLOROBENZONITRILE
IMPURITY -> PARENT
Structure of Bromocyclopentane
IMPURITY -> PARENT
Related Record Type Details
Structure of ESKETAMINE
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