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65141-47-1

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65141-47-1 Structure

65141-47-1 Structure
IdentificationBack Directory
[Name]

p-Nicorandil
[CAS]

65141-47-1
[Synonyms]

p-Nicorandil
Nicorandil para-Isomer
Nicorandil intermediate
Nicorandil EP Impurity A
2-IsonicotinaMidoethyl nitrate
N-(2-Nitrooxyethyl)isonicotinaMide
Nicorandil EP Impurity A (p-Nicorandil)
N-[2-(Nitrooxy)ethyl]-4-pyridinecarboxaMide
4-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-
Nicorandil Impurity 1(Nicorandil EP Impurity A)
[Molecular Formula]

C8H9N3O4
[MDL Number]

MFCD27978107
[MOL File]

65141-47-1.mol
[Molecular Weight]

211.17
Chemical PropertiesBack Directory
[Melting point ]

109-111°C
[Boiling point ]

456.7±25.0 °C(Predicted)
[density ]

1.331±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Acetone (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

12.38±0.46(Predicted)
[color ]

Pale Yellow to Pale Beige
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C8H9N3O4/c12-8(7-1-3-9-4-2-7)10-5-6-15-11(13)14/h1-4H,5-6H2,(H,10,12)
[InChIKey]

VZCYAIHIDPPQHC-UHFFFAOYSA-N
[SMILES]

[N+](=O)([O-])OCCNC(=O)c1ccncc1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

A positional isomeric impurity of the antianginal Nicorandil (N398500).
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