CAS 21829-25-4 Nifedipine - Materials / Alfa Chemistry

NAVIGATION

Nifedipine

PRICE INQUIRY

Catalog Number

ACM21829254

CAS Number

21829-25-4

Product Name

Nifedipine

Structure

Category

Polymerization Reagents

Description

Nifedipine appears as odorless yellow crystals or powder. Tasteless. (NTP, 1992);Solid

IUPAC Name

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

Molecular Weight

346.34

Molecular Formula

C17H18N2O6

Canonical 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)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

InChI Key

HYIMSNHJOBLJNT-UHFFFAOYSA-N

Melting Point

342 to 345 °F (NTP, 1992);172-174 °C;173.0 °C;172-174 °C;172-174°C

Solubility

less than 1 mg/mL at 67.1° F (NTP, 1992);Insoluble;Solubility at 20 °C (g/L): acetone 250, methylene chloride 160, chloroform 140, ethyl acetate 50, methanol 26, ethanol 17;In water, 1.7X10-5 mol/L = 5.9 mg/L at 25 °C;1.77e-02 g/L

Application

Calcium channel blockers

Color/Form

Yellow crystals

Complexity

608

Covalently-Bonded Unit Count

EC Number

244-598-3

Exact Mass

346.116486g/mol

Formal Charge

Heavy Atom Count

Log P

2.2 (LogP);log Kow = 2.20;2

MeSH Entry Terms

Adalat;Bay 1040;BAY a 1040;Bay-1040;BAY-a-1040;Bay1040;BAYa1040;Cordipin;Cordipine;Corinfar;Fenigidin;Korinfar;Monohydrochloride, Nifedipine;Nifangin;Nifedipine;Nifedipine GTIS;Nifedipine Monohydrochloride;Nifedipine-GTIS;Procardia;Procardia XL;Vascard

Monoisotopic Mass

346.116486g/mol

NSC Number

757242

Other Experimental

Very light sensitive in solution;Henry's Law constant = 7.3X10-14 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.1X10-10 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

I9ZF7L6G2L

Vapor Pressure

2.6X10-8 mm Hg at 25 °C

XLogP3

2.2

MSDS

Download MSDS

COA

Download COA

Spec Sheet