Name: Name:dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarb oxylate
Brand: Angene
SKU: AG00BRFU
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dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarb oxylate

CAS No.:

21829-09-4

Catalog Number:

AG00BRFU

Molecular Formula:

C17H18N2O6

Molecular Weight:

346.3346

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Product Description

Catalog Number:

AG00BRFU

Chemical Name:

dimethyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarb oxylate

CAS Number:

21829-09-4

Molecular Formula:

C17H18N2O6

Molecular Weight:

346.3346

MDL Number:

MFCD00375648

IUPAC Name:

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

InChI:

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-5-7-12(8-6-11)19(22)23/h5-8,15,18H,1-4H3

InChI Key:

VFQXEYKTWNRSQE-UHFFFAOYSA-N

SMILES:

COC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC)C

Properties

Complexity:

600

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.339g/mol

Monoisotopic Mass:

346.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2.	Bioorganic & medicinal chemistry 20100501

Properties