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Chemical structure of Nitrendipine-d5

GC69566

Nitrendipine-d5

Also known as 3-O-methyl 5-O-(1,1,2,2,2-pentadeuterioethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Nitrendipine-d5 is the deuterated form of Nitrendipine· Nitrendipine (BAY-E-5009) is a similar compound to Nifedipine· It is a dihydropyridine calcium channel blocker with vasodilatory properties and has antihypertensive effects

ChemicalCAS2469554-26-3MW365.39FormulaC18H15D5N2O6
CAS number
2469554-26-3
Molecular weight
365.39
Formula
C18H15D5N2O6
Solubility
DMSO ： 125 mg/mL (342·10 mM; Need ultrasonic)
InChIKey
PVHUJELLJLJGLN-RPIBLTHZSA-N
Catalogue number
GC69566
Brand
GLPBIO
Computed properties PubChem CID 119057538 · XLogP 2.9 · TPSA 110 Ų · H-bond donors 1
XLogP
2.9
TPSA
110 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
26

SMILES [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

Computed descriptors from PubChem (CID 119057538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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