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Chemical structure of Nimodipine

GC16587

Nimodipine

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

Nimodipine is a 1,4-dihydropyridine L-type calcium channel antagonist, mainly used to treat aneurysmal subarachnoid hemorrhage (aSAH) and prevent cerebral vasospasm

ChemicalCAS66085-59-4MW418.45FormulaC21H26N2O7
CAS number
66085-59-4
Molecular weight
418.45
Formula
C21H26N2O7
Solubility
≥ 108mg/mL in DMSO, ≥ 41·8mg/mL in EtOH
InChIKey
UIAGMCDKSXEBJQ-UHFFFAOYSA-N
Catalogue number
GC16587
Brand
GLPBIO
Computed properties PubChem CID 4497 · XLogP 3.1 · TPSA 120 Ų · H-bond donors 1
XLogP
3.1
TPSA
120 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30

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

Computed descriptors from PubChem (CID 4497), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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