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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O5S
Molecular Weight 458.61
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POBILUKAST

SMILES

O[C@H]([C@H](SCCC(O)=O)C1=C(CCCCCCCCC2=CC=CC=C2)C=CC=C1)C(O)=O

InChI

InChIKey=PZIFPMYXXCAOCC-JWQCQUIFSA-N
InChI=1S/C26H34O5S/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)/t24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H34O5S
Molecular Weight 458.61
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:13:27 UTC 2023
Edited
by admin
on Sat Dec 16 17:13:27 UTC 2023
Record UNII
R2N8IH71HC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POBILUKAST
INN   WHO-DD  
INN  
Official Name English
pobilukast [INN]
Common Name English
(2S,3R)-3-((2-CARBOXYETHYL)THIO)-3-(O-(8-PHENYLOCTYL)PHENYL)LACTIC ACID
Common Name English
Pobilukast [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
Code System Code Type Description
SMS_ID
100000081934
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
NCI_THESAURUS
C96710
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL22776
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
INN
7179
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
MESH
C052393
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
CAS
107023-41-6
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
PUBCHEM
60842
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
FDA UNII
R2N8IH71HC
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
EVMPD
SUB09961MIG
Created by admin on Sat Dec 16 17:13:28 UTC 2023 , Edited by admin on Sat Dec 16 17:13:28 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY