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Details

Stereochemistry RACEMIC
Molecular Formula C23H29ClN2O5S
Molecular Weight 481.005
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITALIDONE

SMILES

CC(C)C1=CC(NS(=O)(=O)C2=CC(=CC=C2Cl)C3(O)CCC(=O)N3C)=CC(C(C)C)=C1O

InChI

InChIKey=PGKMOQNZLQCYGZ-UHFFFAOYSA-N
InChI=1S/C23H29ClN2O5S/c1-13(2)17-11-16(12-18(14(3)4)22(17)28)25-32(30,31)20-10-15(6-7-19(20)24)23(29)9-8-21(27)26(23)5/h6-7,10-14,25,28-29H,8-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C23H29ClN2O5S
Molecular Weight 481.005
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:18:38 GMT 2025
Edited
by admin
on Mon Mar 31 18:18:38 GMT 2025
Record UNII
06H9KWB6IB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITALIDONE
INN  
INN  
Official Name English
sitalidone [INN]
Preferred Name English
Classification Tree Code System Code
NCI_THESAURUS C448
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
Code System Code Type Description
ChEMBL
CHEMBL2110663
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
SMS_ID
100000083521
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
CAS
108894-39-9
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
PUBCHEM
3086530
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
EVMPD
SUB10540MIG
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID80869495
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
FDA UNII
06H9KWB6IB
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
INN
6244
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
NCI_THESAURUS
C74251
Created by admin on Mon Mar 31 18:18:38 GMT 2025 , Edited by admin on Mon Mar 31 18:18:38 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY