ChemicalBook--->CAS DataBase List--->114709-68-1

114709-68-1

114709-68-1 Structure

114709-68-1 Structure
IdentificationBack Directory
[Name]

Nifedipine Impurity J
[CAS]

114709-68-1
[Synonyms]

Nifedipine Monoamide
Nifedipine Impurity J
Nifedipine EP Impurity E
Nifedipine Amide Impurity
Nifedipine Impurity J(EP)
XWBOVLISSVULHY-UHFFFAOYSA-N
Nifedipine Monoamide/ Nifedipine Amide Impurity
methyl 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
3-Pyridinecarboxylic acid, 5-(aminocarbonyl)-1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
5-(Aminocarbonyl)-1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylic Acid Methyl Ester, Nifedipine Impurity 1
[Molecular Formula]

C16H17N3O5
[MOL File]

114709-68-1.mol
[Molecular Weight]

331.32
Chemical PropertiesBack Directory
[Melting point ]

>140°C (dec.)
[Boiling point ]

538.8±50.0 °C(Predicted)
[density ]

1.309±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

15.20±0.70(Predicted)
[color ]

Orange
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C16H17N3O5/c1-8-12(15(17)20)14(13(9(2)18-8)16(21)24-3)10-6-4-5-7-11(10)19(22)23/h4-7,14,18H,1-3H3,(H2,17,20)
[InChIKey]

XWBOVLISSVULHY-UHFFFAOYSA-N
[SMILES]

C1(C)NC(C)=C(C(N)=O)C(C2=CC=CC=C2[N+]([O-])=O)C=1C(OC)=O
Hazard InformationBack Directory
[Uses]

Nifedipine Monoamide is an impurity of Nifedipine (N457000); a dihydropyridine calcium channel blocker. Also used as an antihypertensive and antianginal.
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