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Chemical structure of Dagrocorat hydrochloride

GC63872

Dagrocorat hydrochloride

Also known as (4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methyl-3-pyridinyl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide;hydrochloride

Dagrocorat (PF-00251802) hydrochloride is an orally active and selective high-affinity partial agonist of the glucocorticoid receptor

ChemicalCAS1044535-61-6MW531.01FormulaC29H30ClF3N2O2
CAS number
1044535-61-6
Molecular weight
531.01
Formula
C29H30ClF3N2O2
Solubility
DMSO ： 100 mg/mL (188·32 mM; ultrasonic and warming and heat to 60°C)
InChIKey
IHLZSINDEDTWTB-KKVPRZDISA-N
Catalogue number
GC63872
Brand
GLPBIO
Computed properties PubChem CID 25157943 · TPSA 62.2 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
62.2 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
37

SMILES CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)[C@@]4(CC[C@@](C[C@H]4CC3)(C(F)(F)F)O)CC5=CC=CC=C5.Cl

Computed descriptors from PubChem (CID 25157943), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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