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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12Cl2N6O4
Molecular Weight 435.221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Resmetirom

SMILES

CC(C)C1=CC(OC2=C(Cl)C=C(C=C2Cl)N3N=C(C#N)C(=O)NC3=O)=NNC1=O

InChI

InChIKey=FDBYIYFVSAHJLY-UHFFFAOYSA-N
InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)

HIDE SMILES / InChI

Molecular Formula C17H12Cl2N6O4
Molecular Weight 435.221
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 Sat Dec 16 08:33:56 UTC 2023
Edited
by admin
on Sat Dec 16 08:33:56 UTC 2023
Record UNII
RE0V0T1ES0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Resmetirom
INN  
Official Name English
resmetirom [INN]
Common Name English
1,2,4-Triazine-6-carbonitrile, 2-[3,5-dichloro-4-[[1,6-dihydro-5-(1-methylethyl)-6-oxo-3-pyridazinyl]oxy]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-
Systematic Name English
2-[3,5-Dichloro-4-[[1,6-dihydro-5-(1-methylethyl)-6-oxo-3-pyridazinyl]oxy]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Systematic Name English
MGL-3196
Code English
VIA-3196
Code English
RESMETIROM [USAN]
Common Name English
Code System Code Type Description
USAN
GH-48
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL3261331
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
PUBCHEM
15981237
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
SMS_ID
100000183599
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
INN
10850
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
DRUG BANK
DB12914
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
CAS
920509-32-6
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
FDA UNII
RE0V0T1ES0
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
NCI_THESAURUS
C170368
Created by admin on Sat Dec 16 08:33:56 UTC 2023 , Edited by admin on Sat Dec 16 08:33:56 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
28 times more selective to TR.beta. than TR.alpha.
Related Record Type Details
ACTIVE MOIETY