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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27ClN2O3S2
Molecular Weight 515.087
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VERLUKAST

SMILES

CN(C)C(=O)CCS[C@H](SCCC(O)=O)C1=CC(\C=C\C2=NC3=CC(Cl)=CC=C3C=C2)=CC=C1

InChI

InChIKey=AXUZQJFHDNNPFG-LHAVAQOQSA-N
InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H27ClN2O3S2
Molecular Weight 515.087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:41:19 UTC 2023
Edited
by admin
on Fri Dec 15 17:41:19 UTC 2023
Record UNII
5Q9O54P0H7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERLUKAST
INN   USAN  
INN   USAN  
Official Name English
L-668,019
Code English
VERLUKAST [USAN]
Common Name English
L-668019
Code English
MK-679
Code English
PROPANOIC ACID, 3-(((3-(2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)((3-(DIMETHYLAMINO)-3-OXOPROPYL)THIO)METHYL)THIO)-, (R-(E))-
Common Name English
MK-0679
Code English
3-(((.ALPHA.R)-M-((E)-2-(7-CHLORO-2-QUINOLYL)VINYL)-.ALPHA.-((2-(DIMETHYLCARBAMOYL)ETHYL)THIO)BENZYL)THIO)PROPIONIC ACID
Common Name English
verlukast [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
Code System Code Type Description
PUBCHEM
6509849
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL280481
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
MESH
C059141
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
FDA UNII
5Q9O54P0H7
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
USAN
BB-80
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
CAS
120443-16-5
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
NCI_THESAURUS
C96714
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
SMS_ID
100000079081
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
EVMPD
SUB00041MIG
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
INN
6776
Created by admin on Fri Dec 15 17:41:19 UTC 2023 , Edited by admin on Fri Dec 15 17:41:19 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY