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Chemical structure of Atogepant

GC65596

Atogepant

Also known as (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide

Atogepant (MK-8031) is an orally active and selective calcitonin gene-related peptide receptor (CGRP) antagonist

ChemicalCAS1374248-81-3MW603.52FormulaC29H23F6N5O3
CAS number
1374248-81-3
Molecular weight
603.52
Formula
C29H23F6N5O3
Solubility
DMSO ： 100 mg/mL (165·69 mM; Need ultrasonic)
InChIKey
QIVUCLWGARAQIO-OLIXTKCUSA-N
Catalogue number
GC65596
Brand
GLPBIO
Computed properties PubChem CID 72163100 · XLogP 3.4 · TPSA 104 Ų · H-bond donors 2
XLogP
3.4
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
43

SMILES C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=C(C=CC(=C6F)F)F

Computed descriptors from PubChem (CID 72163100), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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