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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O6P2S2
Molecular Weight 330.255
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (((4-(METHYLTHIO)PHENYL)THIO)METHYLENE)DIPHOSPHONIC ACID

SMILES

CSC1=CC=C(SC(P(O)(O)=O)P(O)(O)=O)C=C1

InChI

InChIKey=ONKXKYBOHBTXEF-UHFFFAOYSA-N
InChI=1S/C8H12O6P2S2/c1-17-6-2-4-7(5-3-6)18-8(15(9,10)11)16(12,13)14/h2-5,8H,1H3,(H2,9,10,11)(H2,12,13,14)

HIDE SMILES / InChI

Molecular Formula C8H12O6P2S2
Molecular Weight 330.255
Charge 0
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 Sat Dec 16 01:40:37 GMT 2023
Edited
by admin
on Sat Dec 16 01:40:37 GMT 2023
Record UNII
EZH47ZB2YF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(((4-(METHYLTHIO)PHENYL)THIO)METHYLENE)DIPHOSPHONIC ACID
Systematic Name English
P,P'-(((4-(METHYLTHIO)PHENYL)THIO)METHYLENE)BIS(PHOSPHONIC ACID)
Systematic Name English
PHOSPHONIC ACID, (((4-(METHYLTHIO)PHENYL)THIO)METHYLENE)BIS-
Systematic Name English
(4-METHYLTHIOPHENYLTHIO)METHANEDIPHOSPHONIC ACID
Systematic Name English
TRK-530
Code English
((4-METHYLSULFANYLPHENYL)SULFANYL-PHOSPHONO-METHYL)PHOSPHONIC ACID
Systematic Name English
Code System Code Type Description
CAS
151425-91-1
Created by admin on Sat Dec 16 01:40:37 GMT 2023 , Edited by admin on Sat Dec 16 01:40:37 GMT 2023
PRIMARY
FDA UNII
EZH47ZB2YF
Created by admin on Sat Dec 16 01:40:37 GMT 2023 , Edited by admin on Sat Dec 16 01:40:37 GMT 2023
PRIMARY
PUBCHEM
9820915
Created by admin on Sat Dec 16 01:40:37 GMT 2023 , Edited by admin on Sat Dec 16 01:40:37 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
TRK-530 is a novel bisphosphonate derivative. We examined the anti-inflammatory effects of TRK-530 on adjuvant arthritis (AA) rats. When TRK-530 at a dose of 2.5 mg/kg was administered for 2 weeks to AA rats, it inhibited destructive changes in arthritic joints such as paw edema, bone loss and joint degeneration.