Nitrendipine-d5

CAT: 1596-AR-N08876-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08876-02Size:25 Units

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CAS Number

2469554-26-3

Molecular Formula

C13H22N2O5

Molecular Weight

365.40

API Name

Nitrendipine

Chemical Information

Nitrendipine-d5

CAS Number	2469554-26-3
PubChem CID	119057538
IUPAC Name	3-O-methyl 5-O-(1,1,2,2,2-pentadeuterioethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C18H20N2O6
Molecular Weight	365.4
XLogP	2.9
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	661

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=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/i1D3,5D2

InChIKey

PVHUJELLJLJGLN-RPIBLTHZSA-N

Chemical Structure

2D Structure

CAS: 2469554-26-3

CID: 119057538

Formula: C18H20N2O6

MW: 365.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	365.16352009
Monoisotopic Mass	365.16352009
Topological Polar Surface Area	110 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	661
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes