Nicorandil Impurity 17

CAT: 1299-RM-N031843-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N031843-01Size:10 mg

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CAS Number

207571-58-2

Synonyms

2- (nitrooxy) ethyl nicotinate

Molecular Formula

C8H8N2O5

Molecular Weight

212.16

Target Alternative Name

Nicorandil

Product Name Synonym

2- (nitrooxy) ethyl nicotinate

Chemical Information

2-(Nitrooxy)ethyl 3-pyridinecarboxylate

CAS Number	207571-58-2
PubChem CID	3941155
IUPAC Name	2-nitrooxyethyl pyridine-3-carboxylate
Molecular Formula	C8H8N2O5
Molecular Weight	212.16
XLogP	1.2
Topological Polar Surface Area	94.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	228

SMILES

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

InChI

InChI=1S/C8H8N2O5/c11-8(7-2-1-3-9-6-7)14-4-5-15-10(12)13/h1-3,6H,4-5H2

InChIKey

WGHHXOKCKNOHEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 207571-58-2

CID: 3941155

Formula: C8H8N2O5

MW: 212.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	212.04332136
Monoisotopic Mass	212.04332136
Topological Polar Surface Area	94.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	228
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-N031908-01	Nicorandil Impurity 79
RM-N031880-01	Nicorandil Impurity 53
RM-N031853-01	Nicorandil Impurity 27
RM-N031854-01	Nicorandil Impurity 28

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