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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12F2IN3O3S
Molecular Weight 491.251
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TUNLAMETINIB

SMILES

OCCONC(=O)C1=CC2=C(N=CS2)C(F)=C1NC3=CC=C(I)C=C3F

InChI

InChIKey=UFZJUVFSSINETF-UHFFFAOYSA-N
InChI=1S/C16H12F2IN3O3S/c17-10-5-8(19)1-2-11(10)21-14-9(16(24)22-25-4-3-23)6-12-15(13(14)18)20-7-26-12/h1-2,5-7,21,23H,3-4H2,(H,22,24)

HIDE SMILES / InChI

Molecular Formula C16H12F2IN3O3S
Molecular Weight 491.251
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 Tue Apr 01 23:38:50 GMT 2025
Edited
by admin
on Tue Apr 01 23:38:50 GMT 2025
Record UNII
IF25NR1PV3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TUNLAMETINIB
INN  
Official Name English
HL-085
Preferred Name English
HL085
Code English
4-FLUORO-5-((2-FLUORO-4-IODOPHENYL)AMINO)-N-(2-HYDROXYETHOXY)-6-BENZOTHIAZOLECARBOXAMIDE
Systematic Name English
6-BENZOTHIAZOLECARBOXAMIDE, 4-FLUORO-5-((2-FLUORO-4-IODOPHENYL)AMINO)-N-(2-HYDROXYETHOXY)-
Systematic Name English
tunlametinib [INN]
Common Name English
Tunlametinib [WHO-DD]
Common Name English
Code System Code Type Description
INN
11753
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
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FDA UNII
IF25NR1PV3
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
PRIMARY
NCI_THESAURUS
C173437
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
PRIMARY
CAS
1801756-06-8
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
PRIMARY
PUBCHEM
71621329
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
PRIMARY
SMS_ID
300000039081
Created by admin on Tue Apr 01 23:38:50 GMT 2025 , Edited by admin on Tue Apr 01 23:38:50 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY