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Chemical structure of Barnidipine

GC35469

Barnidipine

Also known as 5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Barnidipine (Mepirodipine) is an L-type calcium antagonist (CaA) with high affinity for [3H] initrendipine binding sites (Ki=0·21 nmol/l), has selective action against CaA receptors

ChemicalCAS104713-75-9MW491.54FormulaC27H29N3O6
CAS number
104713-75-9
Molecular weight
491.54
Formula
C27H29N3O6
Solubility
DMSO ： 98mg/mL
InChIKey
VXMOONUMYLCFJD-XADRRFQNSA-N
Catalogue number
GC35469
Brand
GLPBIO
Computed properties PubChem CID 65884 · XLogP 4.2 · TPSA 114 Ų · H-bond donors 1
XLogP
4.2
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

SMILES CC1=C(C(C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Computed descriptors from PubChem (CID 65884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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