Nicorandil Impurity 63

CAT: 1299-RM-N031890-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N031890-01Size:10 mg

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CAS Number

3004558-52-2

Synonyms

2- (N-nitrosonicotinamido) ethyl nitrate

Molecular Formula

C8H8N4O5

Molecular Weight

240.18

Target Alternative Name

Nicorandil

Product Name Synonym

2- (N-nitrosonicotinamido) ethyl nitrate

Chemical Information

2-(N-nitrosonicotinamido)ethyl nitrate

CAS Number	3004558-52-2
PubChem CID	176482969
IUPAC Name	2-[nitroso(pyridine-3-carbonyl)amino]ethyl nitrate
Molecular Formula	C8H8N4O5
Molecular Weight	240.17
XLogP	0.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	292

SMILES

C1=CC(=CN=C1)C(=O)N(CCO[N+](=O)[O-])N=O

InChI

InChI=1S/C8H8N4O5/c13-8(7-2-1-3-9-6-7)11(10-14)4-5-17-12(15)16/h1-3,6H,4-5H2

InChIKey

UPZMJTWZHZMBEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3004558-52-2

CID: 176482969

Formula: C8H8N4O5

MW: 240.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.17
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	240.04946937
Monoisotopic Mass	240.04946937
Topological Polar Surface Area	118 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	292
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-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-N031880-01	Nicorandil Impurity 53
RM-N031853-01	Nicorandil Impurity 27
RM-N031854-01	Nicorandil Impurity 28
RM-N031866-01	Nicorandil Impurity 39

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