39562-70-4

Name Ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(meta-nitrophenyl)-3,5-pyridinedicarboxylate
CAS 39562-70-4
EINECS(EC#) 254-513-1
Molecular Formula C18H20N2O6
MDL Number MFCD00082255
Molecular Weight 360.36
MOL File 39562-70-4.mol

Chemical Properties

Appearance Crystalline Solid
Melting point  1580C
Boiling point  492.4°C (rough estimate)
density  1.3595 (rough estimate)
refractive index  1.5700 (estimate)
storage temp.  2-8°C
solubility  methanol: 15 mg/mL
form  powder
pka 2.79±0.70(Predicted)
color  yellow to green
Water Solubility  Soluble in DMSO (17.5 mg/ml), methanol (15 mg/ml), ethyl acetate, and ethanol (25 mM). Insoluble in water.
Usage Antihypertensive
Stability: Stable for 1 year from date of purchase as supplied. Protect from light. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 week.
InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKey PVHUJELLJLJGLN-UHFFFAOYSA-N
SMILES C1(C)NC(C)=C(C(OC)=O)C(C2=CC=CC([N+]([O-])=O)=C2)C=1C(OCC)=O
CAS DataBase Reference 39562-70-4(CAS DataBase Reference)
NIST Chemistry Reference Nitrendipine(39562-70-4)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36:Wear suitable protective clothing .
WGK Germany  1
RTECS  US5653000
Storage Class 11 - Combustible Solids
Toxicity
LD50 in mice, rats (mg/kg): 39, 12.6 i.v.; 2540, >10000 orally (Hoffmann)

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