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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16ClNO
Molecular Weight 237.725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-[(2-Chlorophenyl)(methylimino)methyl]cyclopentan-1-ol

SMILES

CN=C(C1=CC=CC=C1Cl)C2(O)CCCC2

InChI

InChIKey=FJGPXUPMNZOTLX-NTCAYCPXSA-N
InChI=1S/C13H16ClNO/c1-15-12(13(16)8-4-5-9-13)10-6-2-3-7-11(10)14/h2-3,6-7,16H,4-5,8-9H2,1H3/b15-12+

HIDE SMILES / InChI
Molecular Formula C13H16ClNO
Molecular Weight 237.725
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:53:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:08 GMT 2023
Record UNII
HGI99H315N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[(2-Chlorophenyl)(methylimino)methyl]cyclopentan-1-ol
Systematic Name English
KETAMINE RELATED COMPOUND A [USP-RS]
Common Name English
KETAMINE RELATED COMPOUND A
USP-RS  
Common Name English
CYCLOPENTANOL, 1-((2-CHLOROPHENYL)(METHYLIMINO)METHYL)-
Systematic Name English
Ketamine hydroxylimine precursor
Common Name English
KETAMINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
ESKETAMINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
1-(2-CHLORO-N-METHYLBENZIMIDOYL)CYCLOPENTANOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60217758
Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023
PRIMARY
FDA UNII
HGI99H315N
Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023
PRIMARY
CAS
6740-87-0
Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023
PRIMARY
RS_ITEM_NUM
1356020
Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023
PRIMARY
PUBCHEM
13086940
Created by admin on Sat Dec 16 10:53:08 GMT 2023 , Edited by admin on Sat Dec 16 10:53:08 GMT 2023
PRIMARY
Related Record Type Details
Structure of KETAMINE
PARENT->PRECURSOR
Structure of 1-[(2-Chlorophenyl)(methylimino)methyl]cyclopentan-1-ol hydrochloride
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of KETAMINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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