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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17O2.Na
Molecular Weight 228.2626
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SETOGEPRAM SODIUM

SMILES

[Na+].CCCCCC1=CC(CC([O-])=O)=CC=C1

InChI

InChIKey=CNSJWSLXKSJQFE-UHFFFAOYSA-M
InChI=1S/C13H18O2.Na/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15;/h5,7-9H,2-4,6,10H2,1H3,(H,14,15);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C13H17O2
Molecular Weight 205.2729
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 12:52:59 UTC 2023
Edited
by admin
on Sat Dec 16 12:52:59 UTC 2023
Record UNII
R05571KE07
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETOGEPRAM SODIUM
Common Name English
PBI-4050 SODIUM SALT
Common Name English
BENZENEACETIC ACID, 3-PENTYL-, SODIUM SALT (1:1)
Systematic Name English
3-PENTYLBENZENACETIC ACID SODIUM SALT
Systematic Name English
PBI-4050 SODIUM
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 557016
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
FDA ORPHAN DRUG 464214
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
Code System Code Type Description
CAS
1254472-97-3
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
PRIMARY
EU-Orphan Drug
EU/3/15/1550(POSITIVE)
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
PRIMARY treatment of idiopathic pulmonary fibrosis
SMS_ID
100000178210
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
PRIMARY
PUBCHEM
46944243
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
PRIMARY
FDA UNII
R05571KE07
Created by admin on Sat Dec 16 12:52:59 UTC 2023 , Edited by admin on Sat Dec 16 12:52:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY