Nicorandil Impurity 16

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CAS Number

646-02-6

Molecular Formula

C24H26BrN3O3

Molecular Weight

106.08

API Name

Nicorandil

Chemical Information

Aminoethyl Nitrate

Aminoethyl nitrate is a nitrate ester resulting from the formal condensation of the hydroxy group of ethanolamine with the hydroxy group of nitric acid. It causes vasodilation by generating nitric oxide and is used for the treatment of angina pectoris and ischemic heart disease. It has a role as a vasodilator agent. It is a primary amino compound and a nitrate ester. It is functionally related to an ethanolamine.

CAS Number	646-02-6
PubChem CID	26001
IUPAC Name	2-aminoethyl nitrate
Molecular Formula	C2H6N2O3
Molecular Weight	106.08
XLogP	-0.4
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	58

SMILES

C(CO[N+](=O)[O-])N

InChI

InChI=1S/C2H6N2O3/c3-1-2-7-4(5)6/h1-3H2

InChIKey

KZTZJUQNSSLNAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 646-02-6

CID: 26001

Formula: C2H6N2O3

MW: 106.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	106.08
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	106.03784206
Monoisotopic Mass	106.03784206
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	58.4
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

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AR-N08549-01	Nicorandil Impurity 24
AR-N08553-01	Nicorandil Impurity 28
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AR-N01402-01	Nicorandil Impurity 5
AR-N08535-01	Nicorandil Impurity 6
AR-N08538-01	Nicorandil Impurity 10
AR-N08539-01	Nicorandil Impurity 12

Alternative Products

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

Nicorandil Impurity 16

Chemical Information

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