| CAS Number | 65141-47-1 |
| Catalog Number | AG00EF66(AGN-PC-0LOVM6) |
| Chemical Name | p-Nicorandil |
| IUPAC Name | 2-(pyridine-4-carbonylamino)ethyl nitrate |
| InChI | 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) |
| InChI Key | VZCYAIHIDPPQHC-UHFFFAOYSA-N |
| MDL Number | MFCD27978107 |
| Molecular Formula | C8H9N3O4 |
| Molecular Weight | 211.1748 |
| SMILES | [O-][N+](=O)OCCNC(=O)c1ccncc1 |
| Synonyms | p-Nicorandil,
65141-47-1,
4-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-,
2-Isonicotinamidoethyl nitrate,
2-(pyridine-4-carbonylamino)ethyl Nitrate,
AC1NQZ81,
CHEMBL3264035,
CTK1J8921,
DTXSID30411802,
N-(2-nitroxyethyl)isonicotinamide,
N-(2-Nitrooxyethyl)isonicotinamide,
ZINC33790935,
AKOS030254852,
FT-0672690,
N-[2-(Nitrooxy)ethyl]-4-pyridinecarboxamide,
CID5231241,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.177g/mol |
| Monoisotopic Mass | 211.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number