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Chemical structure of Tariquidar methanesulfonate, hydrate

GC10928

Tariquidar methanesulfonate, hydrate

Also known as N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide;methanesulfonic acid;trihydrate

A P-glycoprotein inhibitor

ChemicalCAS625375-83-9MW892.99FormulaC40H52N4O15S2
CAS number
625375-83-9
Molecular weight
892.99
Formula
C40H52N4O15S2
Solubility
Soluble in DMSO
InChIKey
MNKRYFJEUQPYTI-UHFFFAOYSA-N
Catalogue number
GC10928
Brand
GLPBIO
Computed properties PubChem CID 71576652 · TPSA 240 Ų · H-bond donors 7 · H-bond acceptors 17
TPSA
240 Ų
H-bond donors
7
H-bond acceptors
17
Rotatable bonds
11
Heavy atoms
61

SMILES COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O.O.O.O

Computed descriptors from PubChem (CID 71576652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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