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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO2S.ClH
Molecular Weight 385.992
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETIEDIL HYDROCHLORIDE, (S)-

SMILES

Cl.O=C(OCCN1CCCCCC1)[C@@H](C2CCCCC2)C3=CSC=C3

InChI

InChIKey=ASHVUIMZSYNBHE-FYZYNONXSA-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/t19-;/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 C20H31NO2S
Molecular Weight 349.531
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 Sat Dec 16 02:17:42 GMT 2023
Edited
by admin
on Sat Dec 16 02:17:42 GMT 2023
Record UNII
6R97845183
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETIEDIL HYDROCHLORIDE, (S)-
Common Name English
3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-, 2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL ESTER, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
6R97845183
Created by admin on Sat Dec 16 02:17:42 GMT 2023 , Edited by admin on Sat Dec 16 02:17:42 GMT 2023
PRIMARY
PUBCHEM
119026186
Created by admin on Sat Dec 16 02:17:42 GMT 2023 , Edited by admin on Sat Dec 16 02:17:42 GMT 2023
PRIMARY
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