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21829-25-4

21829-25-4 structural image
Product Name: Nifedipine
Formula: C17H18N2O6
Synonyms: 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester;L-Type Calcium Channel Blocker III;Nifedipine;Nifedipine - CAS 21829-25-4 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Nifedipine appears as odorless yellow crystals or powder. Tasteless. (NTP, 1992)
Color/Form Yellow crystals
Melting Point 342 to 345 °F (NTP, 1992)
Solubility less than 1 mg/mL at 67.1 °F (NTP, 1992)
Vapor Pressure 2.6X10-8 mm Hg at 25 °C
LogP 2.2
Decomposition When heated to decomposition, it emits toxic fumes of /nitrogen oxides/.
Collision Cross Section 169.4 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2536.74
Other Experimental Properties Very light sensitive in solution

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 346.3 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 346.11648630 g/mol
Monoisotopic Mass 346.11648630 g/mol
Topological Polar Surface Area 110 Ų
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

PRODUCT INTRODUCTION

description

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

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