P-Nicorandil

CAT: 0024-sc-478191Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-478191Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

65141-47-1

Chemical Information

4-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-

See also: 2-(Isonicotinoylamino)ethyl nitrate (annotation moved to).

CAS Number	65141-47-1
PubChem CID	5231241
IUPAC Name	2-(pyridine-4-carbonylamino)ethyl nitrate
Molecular Formula	C8H9N3O4
Molecular Weight	211.17
XLogP	0.4
Topological Polar Surface Area	97
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	222

SMILES

C1=CN=CC=C1C(=O)NCCO[N+](=O)[O-]

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)

InChIKey

VZCYAIHIDPPQHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65141-47-1

CID: 5231241

Formula: C8H9N3O4

MW: 211.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.17
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	211.05930578
Monoisotopic Mass	211.05930578
Topological Polar Surface Area	97 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222
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

Catalog	Name
sc-200995C	Nicorandil
sc-200995B	Nicorandil
sc-200995	Nicorandil
sc-200995A	Nicorandil
sc-219354	Nicorandil-d4
sc-212370	Nicorandil N-Oxide
sc-210518	6-Hydroxy Nicorandil
sc-477911	P, P'-[ (1,2-Phenylene) bis (methylene) ]bisphosphonic Acid P, P, P', P'-tetraethyl ester
sc-271922 P	P-PKC θ (A-11) P
sc-8394 P	P-Stat1 (A-2) P

Catalog	Name
TRC-N398510-100MG	p-Nicorandil
AR-N01394-01	Nicorandil EP Impurity A (p-Nicorandil)
FN15906-01	Nicorandil