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Nifedipine

Catalog Number
ACM21829254
Product Name
Nifedipine
Structure
CAS
21829-25-4
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
1
EC Number
244-598-3
Exact Mass
346.116486g/mol
Formal Charge
0
Heavy Atom Count
25
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
5
UNII
I9ZF7L6G2L
Vapor Pressure
2.6X10-8 mm Hg at 25 °C
XLogP3
2.2
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