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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14Cl2F2N3O2S.Na
Molecular Weight 504.312
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cudetaxestat sodium

SMILES

[Na+].CCCN1C=C(C=N1)N2C(Cl)=C(SC3=C(F)C(=CC=C3)C([O-])=O)C4=C2C(F)=C(Cl)C=C4

InChI

InChIKey=SQXRDXQCMONZTH-UHFFFAOYSA-M
InChI=1S/C21H15Cl2F2N3O2S.Na/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30;/h3-7,9-10H,2,8H2,1H3,(H,29,30);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C21H14Cl2F2N3O2S
Molecular Weight 481.323
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 Sat Dec 16 18:39:37 UTC 2023
Edited
by admin
on Sat Dec 16 18:39:37 UTC 2023
Record UNII
6FZL38CMV9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cudetaxestat sodium
Common Name English
BLD-0409 SODIUM
Code English
SODIUM 3-((2,6-DICHLORO-7-FLUORO-1-(1-PROPYL-1H-PYRAZOL-4-YL)-1H-INDOL-3-YL)THIO)-2-FLUOROBENZOATE
Systematic Name English
BENZOIC ACID, 3-((2,6-DICHLORO-7-FLUORO-1-(1-PROPYL-1H-PYRAZOL-4-YL)-1H-INDOL-3-YL)THIO)-2-FLUORO-, SODIUM SALT (1:1)
Systematic Name English
PAT-409 SODIUM
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 801820
Created by admin on Sat Dec 16 18:39:37 UTC 2023 , Edited by admin on Sat Dec 16 18:39:37 UTC 2023
Code System Code Type Description
PUBCHEM
140874972
Created by admin on Sat Dec 16 18:39:37 UTC 2023 , Edited by admin on Sat Dec 16 18:39:37 UTC 2023
PRIMARY
CAS
2051449-64-8
Created by admin on Sat Dec 16 18:39:37 UTC 2023 , Edited by admin on Sat Dec 16 18:39:37 UTC 2023
PRIMARY
FDA UNII
6FZL38CMV9
Created by admin on Sat Dec 16 18:39:37 UTC 2023 , Edited by admin on Sat Dec 16 18:39:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY