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Details

Stereochemistry RACEMIC
Molecular Formula C20H31NO2S.ClH
Molecular Weight 385.992
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIEDIL HYDROCHLORIDE

SMILES

Cl.O=C(OCCN1CCCCCC1)C(C2CCCCC2)C3=CSC=C3

InChI

InChIKey=ASHVUIMZSYNBHE-UHFFFAOYSA-N
InChI=1S/C20H31NO2S.ClH/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;/h10,15-17,19H,1-9,11-14H2;1H

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 C20H31NO2S
Molecular Weight 349.531
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:17:39 UTC 2023
Edited
by admin
on Sat Dec 16 02:17:39 UTC 2023
Record UNII
WO2TST3H3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETIEDIL HYDROCHLORIDE
Common Name English
3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-, 2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
CETIEDIL HYDROCHLORIDE (MI)
Common Name English
Code System Code Type Description
PUBCHEM
118984386
Created by admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
PRIMARY
CAS
16199-90-9
Created by admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
PRIMARY
ECHA (EC/EINECS)
240-329-9
Created by admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID90936622
Created by admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
PRIMARY
FDA UNII
WO2TST3H3N
Created by admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY