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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8Cl2O4S.C4H11NO3
Molecular Weight 452.306
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TICRYNAFEN TROMETHAMINE

SMILES

NC(CO)(CO)CO.OC(=O)COC1=C(Cl)C(Cl)=C(C=C1)C(=O)C2=CC=CS2

InChI

InChIKey=QGUZMWVXVNOEMD-UHFFFAOYSA-N
InChI=1S/C13H8Cl2O4S.C4H11NO3/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17;5-4(1-6,2-7)3-8/h1-5H,6H2,(H,16,17);6-8H,1-3,5H2

HIDE SMILES / InChI

Molecular Formula C13H8Cl2O4S
Molecular Weight 331.171
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11NO3
Molecular Weight 121.135
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 Fri Dec 15 15:24:10 UTC 2023
Edited
by admin
on Fri Dec 15 15:24:10 UTC 2023
Record UNII
2442F2Q79Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TICRYNAFEN TROMETHAMINE
Common Name English
TRIS(HYDROXYMETHYL)AMINOMETHANE TIENILATE
Common Name English
ACETIC ACID, (2,3-DICHLORO-4-(2-THIENYLCARBONYL)PHENOXY)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Common Name English
TICRYNAFEN TRIS SALT
Common Name English
TICRYNAFEN TROMETAMOL
Common Name English
Code System Code Type Description
FDA UNII
2442F2Q79Z
Created by admin on Fri Dec 15 15:24:10 UTC 2023 , Edited by admin on Fri Dec 15 15:24:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID10209007
Created by admin on Fri Dec 15 15:24:10 UTC 2023 , Edited by admin on Fri Dec 15 15:24:10 UTC 2023
PRIMARY
PUBCHEM
71587205
Created by admin on Fri Dec 15 15:24:10 UTC 2023 , Edited by admin on Fri Dec 15 15:24:10 UTC 2023
PRIMARY
CAS
60254-96-8
Created by admin on Fri Dec 15 15:24:10 UTC 2023 , Edited by admin on Fri Dec 15 15:24:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY