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m-Nifedipine - 98%, high purity , CAS No.21881-77-6

COA

Grade & Purity:

≥98%

Cas Number: 21881-77-6
Molecular Weight: 346.33
EC Number: 244-628-5
PubChem CID: 89082

In stock

Item Number

M647981

Grouped product items
SKU	Size	Availability	Price
M647981-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
M647981-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
M647981-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90

View related series

Drug Metabolite (241) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

Synonyms	Bay A4339 \| Z90339137 \| AKOS040733655 \| SY275733 \| BAY-a 4339 \| SR-01000323977-1 \| SR-01000323977-2 \| 3,5-dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate \| EINECS 244-628-5 \| UNII-L5RCO4YA70 \| FT-0653371 \| HY-135356 \| 1,4-Dih
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	m-Nifedipine is an impurity of Nifedipine (BAY-a-1040). Nifedipine is a potent calcium channel blocker and agent of choice for cardiac insufficiencies.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product 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. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines
      - Level5 Dihydropyridines
        Level6 Dihydropyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Dihydropyridines
Direct Parent	Dihydropyridinecarboxylic acids and derivatives
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Dialkylamines Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Enamine - Organic oxoazanium - Secondary amine - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	dimethyl 2,6-dimethyl-4-(3-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)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3
InChIKey	MCTRZKAKODSRLQ-UHFFFAOYSA-N
Smiles	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
Isomeric SMILES	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
Alternate CAS	21881-77-6
PubChem CID	89082
MeSH Entry Terms	1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester;2,6-dimethyl-3,5-dicarbomethoxy-4-(3-nitrophenyl)-1,4-dihydropyridine;3-nifedipine;Bay A4339;m-nifedipine
Molecular Weight	346.33

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Ethanol : 5 mg/mL (14.44 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight	346.300 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	346.116 Da
Monoisotopic Mass	346.116 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	608.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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