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Chemical structure of Encequidar mesylate anhydrous

GC33185

Encequidar mesylate anhydrous

Also listed as Encequidar mesylate (HM30181 (mesylate))

HM30181 mesylate salt, a tetrazole derivative, is known as a P-glycoprotein inhibitor that has inhibitory activities on multidrug resistance in cancer cells

ChemicalCAS849675-87-2MW784.83FormulaC39H40N6O10S
CAS number
849675-87-2
Molecular weight
784.83
Formula
C39H40N6O10S
Solubility
DMSO ： 25 mg/mL (31·85 mM; Need ultrasonic)
InChIKey
PEKXWELLWNPUOK-UHFFFAOYSA-N
Catalogue number
GC33185
Brand
GLPBIO
Computed properties PubChem CID 76971350 · TPSA 202 Ų · H-bond donors 2 · H-bond acceptors 14
TPSA
202 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
56

SMILES COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC.CS(=O)(=O)O

Computed descriptors from PubChem (CID 76971350), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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