U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H22N4O3
Molecular Weight 318.3709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOMELUKAST

SMILES

CCCC1=C(O)C(=CC=C1OCCCCC2=NN=NN2)C(C)=O

InChI

InChIKey=MWYHLEQJTQJHSS-UHFFFAOYSA-N
InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H22N4O3
Molecular Weight 318.3709
Charge 0
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 Fri Dec 15 15:16:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:16:18 UTC 2023
Record UNII
59762X5CLS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOMELUKAST
INN   MART.   USAN  
INN   USAN  
Official Name English
ETHANONE, 1-(2-HYDROXY-3-PROPYL-4-(4-(1H-TETRAZOL-5-YL)BUTOXY)PHENYL)-
Systematic Name English
TOMELUKAST [MART.]
Common Name English
LY-171883
Code English
LY-171833
Code English
LY171883
Code English
tomelukast [INN]
Common Name English
TOMELUKAST [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID7020344
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
CHEBI
75310
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
FDA UNII
59762X5CLS
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
CAS
88107-10-2
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
INN
6289
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
PUBCHEM
3969
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL162358
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
NCI_THESAURUS
C74135
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
USAN
W-40
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
SMS_ID
100000077788
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
EVMPD
SUB11184MIG
Created by admin on Fri Dec 15 15:16:18 UTC 2023 , Edited by admin on Fri Dec 15 15:16:18 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY