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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H32F3N3O5S
Molecular Weight 615.663
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MASILUKAST

SMILES

COC1=CC(=CC=C1CC2=CN(C)C3=C2C=C(C=C3)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)C4=CC=CC=C4C

InChI

InChIKey=ULMFXAMQUGLVGA-LJQANCHMSA-N
InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H32F3N3O5S
Molecular Weight 615.663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Masilukast (ZD 3523) is an antagonist of leukotriene D4 (LTD4). It opposes LTD4-induced bronchoconstriction. It was being developed for the treatment of asthma.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:54:00 UTC 2023
Edited
by admin
on Fri Dec 15 16:54:00 UTC 2023
Record UNII
2QJ3R1H23S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MASILUKAST
INN  
INN  
Official Name English
SA-09012
Code English
3-((2-METHOXY-4-(((2-METHYLPHENYL)SULFONYL)CARBAMOYL)PHENYL)METHYL)-1-METHYL-N-((2R)-4,4,4-TRIFLUORO-2-METHYLBUTYL)-1H-INDOLE-5-CARBOXAMIDE
Systematic Name English
ICI-D3523
Code English
ZD-3523
Common Name English
MCC-847
Code English
SA09012
Code English
3-(2-METHOXY-4-(2-TOLYLSULFONYL-CARBAMOYL)BENZYL)-1-METHYL-N-(4,4,4-TRIFLUORO-2-METHYLBUTYL)INDOLE-5-CARBOXAMIDE, L-
Common Name English
masilukast [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29712
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
Code System Code Type Description
INN
8676
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID90929478
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
FDA UNII
2QJ3R1H23S
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
PUBCHEM
204056
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
CAS
136564-68-6
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
SMS_ID
300000034340
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
NCI_THESAURUS
C83906
Created by admin on Fri Dec 15 16:54:00 UTC 2023 , Edited by admin on Fri Dec 15 16:54:00 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY