U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28Cl3FO4
Molecular Weight 505.834
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICLONIDE

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](Cl)[C@@]4(Cl)[C@@]2([H])C[C@H](F)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=VSVSLEMVVAYTQW-VSXGLTOVSA-N
InChI=1S/C24H28Cl3FO4/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(29)5-6-21(15,3)23(14,27)17(26)10-22(13,4)24(19,32-20)18(30)11-25/h5-7,13-14,16-17,19H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28Cl3FO4
Molecular Weight 505.834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:20:23 GMT 2023
Edited
by admin
on Fri Dec 15 15:20:23 GMT 2023
Record UNII
PSM3RT117Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICLONIDE
INN   USAN  
USAN   INN  
Official Name English
triclonide [INN]
Common Name English
RS-4464
Code English
TRICLONIDE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29505
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2107225
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
EVMPD
SUB11276MIG
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
NCI_THESAURUS
C66631
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID40181367
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
CAS
26849-57-0
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
FDA UNII
PSM3RT117Z
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
SMS_ID
100000077738
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
INN
3431
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
PUBCHEM
10323902
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
WIKIPEDIA
Triclonide
Created by admin on Fri Dec 15 15:20:23 GMT 2023 , Edited by admin on Fri Dec 15 15:20:23 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY