Simedeutirom

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H12Cl2N6O4
Molecular Weight	450.25
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[2H]C([2H])([2H])[C@@H]1CCC2=C1C(=O)NN=C2OC3=C(Cl)C=C(C=C3Cl)N4N=C(C#N)C(=O)NC4=O

InChI

InChIKey=HJFWDABAASVHOC-ISLPBHIQSA-N

InChI=1S/C18H12Cl2N6O4/c1-7-2-3-9-13(7)16(28)23-24-17(9)30-14-10(19)4-8(5-11(14)20)26-18(29)22-15(27)12(6-21)25-26/h4-5,7H,2-3H2,1H3,(H,23,28)(H,22,27,29)/t7-/m1/s1/i1D3

HIDE SMILES / InChI

Molecular Formula	C18H12Cl2N6O4
Molecular Weight	450.25
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:39:53 GMT 2025` Edited by `admin` on `Wed Apr 02 20:39:53 GMT 2025`
Record UNII	4G7Z7KQ8GV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Simedeutirom

Official Name

English

simedeutirom [INN]

Preferred Name

English

2-[3,5-Dichloro-4-[[(7R)-2,5,6,7-tetrahydro-7-(methyl-d3)-1-oxo-1H-cyclopenta[d]pyridazin-4-yl]oxy]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carbonitrile

Systematic Name

English

Code System Code Type Description

CAS

2403721-24-2

Created by admin on Wed Apr 02 20:39:53 GMT 2025 , Edited by admin on Wed Apr 02 20:39:53 GMT 2025

PRIMARY

PUBCHEM

155758432

Created by admin on Wed Apr 02 20:39:53 GMT 2025 , Edited by admin on Wed Apr 02 20:39:53 GMT 2025

PRIMARY

INN

13304

Created by admin on Wed Apr 02 20:39:53 GMT 2025 , Edited by admin on Wed Apr 02 20:39:53 GMT 2025

PRIMARY

FDA UNII

4G7Z7KQ8GV

Created by admin on Wed Apr 02 20:39:53 GMT 2025 , Edited by admin on Wed Apr 02 20:39:53 GMT 2025

PRIMARY

Related Record Type Details


					4G7Z7KQ8GV

Simedeutirom

ACTIVE MOIETY

Comments:

thyroid hormone beta receptor agonist

Amount: