M-Nifedipine

CAT: 0804-HY-135356-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-135356-01Size:1 g

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Description

M-Nifedipine is an impurity of Nifedipine (BAY-a-1040) . Nifedipine is a potent calcium channel blocker and agent of choice for cardiac insufficiencies[1].

CAS Number

21881-77-6

UNSPSC

12352005

Hazard Statement

H302

Target

Drug Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/m-nifedipine.html

Purity

99.94

Solubility

Ethanol : 5 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC([N+]([O-])=O)=C2)OC

Molecular Formula

C17H18N2O6

Molecular Weight

346.34

Precautions

H302

References & Citations

[1]Ratre MS, et al. Effect of azithromycin on gingival overgrowth induced by cyclosporine A + nifedipine combination therapy: A morphometric analysis in rats. J Indian Soc Periodontol. 2016 Jul-Aug;20 (4) :396-401.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

m-Nifedipine

structure given in first source

CAS Number	21881-77-6
PubChem CID	89082
IUPAC Name	dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C17H18N2O6
Molecular Weight	346.3
XLogP	2.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	608

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

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

InChIKey

MCTRZKAKODSRLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21881-77-6

CID: 89082

Formula: C17H18N2O6

MW: 346.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	346.3
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	346.11648630
Monoisotopic Mass	346.11648630
Topological Polar Surface Area	110 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	608
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

Related Products

Catalog	Name
HY-B0284-01	Nifedipine
HY-B0284S2	Nifedipine-13C8
HY-B0284S1-01	Nifedipine-d4
HY-W019726-01	Dehydro Nifedipine
HY-B0284A	Nifedipine (hydrochloride)
HY-B0284S-01	Nifedipine-d6
HY-B0284R-01	Nifedipine (Standard)
HY-W019726R	Dehydro Nifedipine (Standard)
HY-W019726S-01	Dehydro Nifedipine-d6
HY-139428-01	Hydroxydehydro Nifedipine Carboxylate

Alternative Products

Catalog	Name
TRC-N457015-1G	m-Nifedipine
CS-T-96730	M-Nifedipine-d6
B1988-50	Nifedipine

M-Nifedipine

Chemical Information

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