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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32O5S.2Na
Molecular Weight 502.574
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POBILUKAST DISODIUM

SMILES

[Na+].[Na+].O[C@H]([C@H](SCCC([O-])=O)C1=C(CCCCCCCCC2=CC=CC=C2)C=CC=C1)C([O-])=O

InChI

InChIKey=OZPHBYXRDOEADX-LBDKHHEASA-L
InChI=1S/C26H34O5S.2Na/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;;/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);;/q;2*+1/p-2/t24-,25-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C26H32O5S
Molecular Weight 456.594
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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 05:09:19 UTC 2023
Edited
by admin
on Sat Dec 16 05:09:19 UTC 2023
Record UNII
SF79K8NK9V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POBILUKAST DISODIUM
Common Name English
BENZENEPROPANOIC ACID, .BETA.-((2-CARBOXYETHYL)THIO)-.ALPHA.-HYDROXY-2-(8-PHENYLOCTYL)-, SODIUM SALT (1:2), (.ALPHA.S,.BETA.R)-
Systematic Name English
SKF-104353Z2
Code English
Code System Code Type Description
PUBCHEM
11706049
Created by admin on Sat Dec 16 05:09:19 UTC 2023 , Edited by admin on Sat Dec 16 05:09:19 UTC 2023
PRIMARY
FDA UNII
SF79K8NK9V
Created by admin on Sat Dec 16 05:09:19 UTC 2023 , Edited by admin on Sat Dec 16 05:09:19 UTC 2023
PRIMARY
CAS
107023-42-7
Created by admin on Sat Dec 16 05:09:19 UTC 2023 , Edited by admin on Sat Dec 16 05:09:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE