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Details

Stereochemistry RACEMIC
Molecular Formula C11H15OS2.K
Molecular Weight 266.465
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D609, C-EXO-O-ENDO-

SMILES

[K+].[S-]C(=S)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]3CCC[C@H]23

InChI

InChIKey=IGULCCCBGBDZKQ-NZKIOLFWSA-M
InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7-,8-,9-,10-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C11H15OS2
Molecular Weight 227.366
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:55:16 GMT 2025
Edited
by admin
on Wed Apr 02 06:55:16 GMT 2025
Record UNII
X5O2MDB2MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBONODITHIOIC ACID, O-((3AR,4R,5R,7R,7AR)-OCTAHYDRO-4,7-METHANO-1H-INDEN-5-YL) ESTER, POTASSIUM SALT, REL-
Preferred Name English
D609, C-EXO-O-ENDO-
Code English
Code System Code Type Description
CAS
473281-62-8
Created by admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
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PUBCHEM
23684989
Created by admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
PRIMARY
FDA UNII
X5O2MDB2MQ
Created by admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
PRIMARY