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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H37FN2O3S
Molecular Weight 416.593
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRECETILIDE

SMILES

CCN(CCCCCC(C)(C)F)CCC[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1

InChI

InChIKey=RPQUKWBLAHJOPX-FQEVSTJZSA-N
InChI=1S/C21H37FN2O3S/c1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27/h11-14,20,23,25H,5-10,15-17H2,1-4H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H37FN2O3S
Molecular Weight 416.593
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 Fri Dec 15 15:55:08 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:08 UTC 2023
Record UNII
3R7HJU91EJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRECETILIDE
INN  
INN  
Official Name English
trecetilide [INN]
Common Name English
(-)-4'-((S)-4-(ETHYL(6-FLUORO-6-METHYLHEPTYL)AMINO)-1-HYDROXYBUTYL)METHANESULFONANILIDE
Systematic Name English
(S)-N-(4-(4-(ETHYL(6-FLUORO-6-METHYLHEPTYL)AMINO)-1-HYDROXYBUTYL)PHENYL) METHANESULFONAMIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
Code System Code Type Description
MESH
C117132
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
FDA UNII
3R7HJU91EJ
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
SMS_ID
300000036675
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
INN
7758
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL269446
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
NCI_THESAURUS
C81426
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
PUBCHEM
163300
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID10171038
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
CAS
180918-68-7
Created by admin on Fri Dec 15 15:55:08 UTC 2023 , Edited by admin on Fri Dec 15 15:55:08 UTC 2023
PRIMARY
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