Nicorandil Impurity 16

CAT: 1299-RM-N031842-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-N031842-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1157-74-0

Synonyms

(nicotinoylazanediyl) bis (ethane-2,1-diyl) dinitrate

Molecular Formula

C10H12N4O7

Molecular Weight

300.22

Target Alternative Name

Nicorandil

Product Name Synonym

(nicotinoylazanediyl) bis (ethane-2,1-diyl) dinitrate

Chemical Information

Nicorandil Impurity 16

CAS Number	1157-74-0
PubChem CID	87588190
IUPAC Name	2-[2-nitrooxyethyl(pyridine-3-carbonyl)amino]ethyl nitrate
Molecular Formula	C10H12N4O7
Molecular Weight	300.22
XLogP	0.1
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	347

SMILES

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

InChI

InChI=1S/C10H12N4O7/c15-10(9-2-1-3-11-8-9)12(4-6-20-13(16)17)5-7-21-14(18)19/h1-3,8H,4-7H2

InChIKey

DTOZFZYZIOGHBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1157-74-0

CID: 87588190

Formula: C10H12N4O7

MW: 300.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.22
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	300.07059873
Monoisotopic Mass	300.07059873
Topological Polar Surface Area	143 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	347
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