Nicorandil EP Impurity A

CAT: 1299-RM-N031801-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N031801-01Size:10 mg

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CAS Number

65141-47-1

Synonyms

2- (isonicotinamido) ethyl nitrate

Molecular Formula

C8H9N3O4

Molecular Weight

211.17

Target Alternative Name

Nicorandil

Product Name Synonym

2- (isonicotinamido) ethyl nitrate

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
RM-N031829-01	Nicorandil Impurity 3; Nicotinamide EP Impurity A
RM-N031840-01	Nicorandil Impurity 14 (Nicorandil Trimer)
RM-N031831-01	Nicorandil Impurity 5
RM-N031830-01	Nicorandil Impurity 4
RM-N031885-01	Nicorandil Impurity 58
RM-N031883-01	Nicorandil Impurity 56
RM-N031898-01	Nicorandil Impurity 70
RM-N031908-01	Nicorandil Impurity 79
RM-N031880-01	Nicorandil Impurity 53
RM-N031853-01	Nicorandil Impurity 27

Catalog	Name
AR-N01394-01	Nicorandil EP Impurity A (p-Nicorandil)
AR-N08546-01	Nicorandil Impurity 21
AR-N08566-01	Nicorandil Impurity 39
AR-N08549-01	Nicorandil Impurity 24
AR-N08553-01	Nicorandil Impurity 28
AR-N08986-01	Nicorandil Impurity 9
AR-N01402-01	Nicorandil Impurity 5
AR-N08535-01	Nicorandil Impurity 6
AR-N08538-01	Nicorandil Impurity 10
AR-N08539-01	Nicorandil Impurity 12