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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO3S
Molecular Weight 325.466
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEB-1957

SMILES

CN(C)CCCOC(=O)[C@](O)(C1CCCCC1)C2=CSC=C2

InChI

InChIKey=KQVFVWDJLVOOPY-KRWDZBQOSA-N
InChI=1S/C17H27NO3S/c1-18(2)10-6-11-21-16(19)17(20,15-9-12-22-13-15)14-7-4-3-5-8-14/h9,12-14,20H,3-8,10-11H2,1-2H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H27NO3S
Molecular Weight 325.466
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 09:22:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:22:15 GMT 2023
Record UNII
5Y5P1U9W41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEB-1957
Common Name English
3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 3-(DIMETHYLAMINO)PROPYL ESTER, (S)-
Systematic Name English
3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 3-(DIMETHYLAMINO)PROPYL ESTER, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
5Y5P1U9W41
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
CAS
121250-22-4
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
PUBCHEM
11723857
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY