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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17ClF2N3O2S.Na
Molecular Weight 495.905
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAT-505 SODIUM

SMILES

[Na+].CCN1C=C(C=N1)N2C(C3CC3)=C(SC4=C(F)C(=CC=C4)C([O-])=O)C5=CC=C(Cl)C(F)=C25

InChI

InChIKey=LRGJOAHIPINMJO-UHFFFAOYSA-M
InChI=1S/C23H18ClF2N3O2S.Na/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31;/h3-5,8-12H,2,6-7H2,1H3,(H,30,31);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C23H17ClF2N3O2S
Molecular Weight 472.915
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 18:32:10 GMT 2023
Edited
by admin
on Sat Dec 16 18:32:10 GMT 2023
Record UNII
LAJ8DZ93GQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAT-505 SODIUM
Code English
BENZOIC ACID, 3-((6-CHLORO-2-CYCLOPROPYL-1-(1-ETHYL-1H-PYRAZOL-4-YL)-7-FLUORO-1H-INDOL-3-YL)THIO)-2-FLUORO-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
1782070-85-2
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
PUBCHEM
118112334
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
FDA UNII
LAJ8DZ93GQ
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY