Dehydronitroso Nifedipine

CAT: 0024-sc-499654Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499654Size:10 mg

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CAS Number

50428-14-3

Chemical Information

Dehydronitrosonifedipine

structure given in first source

CAS Number	50428-14-3
PubChem CID	128034
IUPAC Name	dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
Molecular Formula	C17H16N2O5
Molecular Weight	328.32
XLogP	2.4
Topological Polar Surface Area	94.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	456

SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2N=O)C(=O)OC

InChI

InChI=1S/C17H16N2O5/c1-9-13(16(20)23-3)15(11-7-5-6-8-12(11)19-22)14(10(2)18-9)17(21)24-4/h5-8H,1-4H3

InChIKey

MUZLTKGYFZENFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50428-14-3

CID: 128034

Formula: C17H16N2O5

MW: 328.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.32
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	328.10592162
Monoisotopic Mass	328.10592162
Topological Polar Surface Area	94.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D229890-100MG	Dehydronitroso Nifedipine
T1146-01	Nifedipine