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Chemical structure of m-Nifedipine

GC63808

m-Nifedipine

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

m-Nifedipine is an impurity of Nifedipine (BAY-a-1040)

ChemicalCAS21881-77-6MW346.33FormulaC17H18N2O6
CAS number
21881-77-6
Molecular weight
346.33
Formula
C17H18N2O6
Solubility
Ethanol ： 5 mg/mL (14·44 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MCTRZKAKODSRLQ-UHFFFAOYSA-N
Catalogue number
GC63808
Brand
GLPBIO
Computed properties PubChem CID 89082 · XLogP 2.5 · TPSA 110 Ų · H-bond donors 1
XLogP
2.5
TPSA
110 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
25

SMILES CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Computed descriptors from PubChem (CID 89082), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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