Resmetirom
Properties
- Molecular formula
- C17H12Cl2N6O4
- Molar mass
- 435.22 g/mol
- Exact mass
- 434.0297 Da
- logP
- 2.10Crippen estimate
- Polar surface area
- 146.5 Ų
- H-bond donors / acceptors
- 2 / 7
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
920509-32-6SMILES
CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)ClInChIKey
FDBYIYFVSAHJLY-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-[3,5-Dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
- Rezdiffra
- Resmetiromum
- MGL-3196 (Resmetirom)