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Nitrendipine

CAT: 0127-OR1030253-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030253-03Size:5 g
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CAS Number
39562-70-4
Synonyms
5-O-ethyl 3-O-methyl 2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
Purity
98%
Smiles
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

Chemical Information

Nitrendipine

Nitrendipine is a dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. It has a role as a geroprotector, a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is a member of dicarboxylic acids and O-substituted derivatives, an ethyl ester, a methyl ester, a C-nitro compound, a dihydropyridine and a diester.

CAS Number39562-70-4
PubChem CID4507
IUPAC Name5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC18H20N2O6
Molecular Weight360.4
XLogP2.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity661
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKey
PVHUJELLJLJGLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrendipine
CAS: 39562-70-4
CID: 4507
Formula: C18H20N2O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass360.13213636
Monoisotopic Mass360.13213636
Topological Polar Surface Area110 Ų
Heavy Atom Count26
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1393-SNitrendipine
sc-478335(+) -Nitrendipine
TRC-N490155-25MG(-)-Nitrendipine
TRC-N490145-25MG(+)-Nitrendipine

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