Nicorandil EP Impurity D

CAT: 1299-RM-N031804-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N031804-01Size:10 mg

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CAS Number

40055-37-6

Synonyms

2- (pyridin-3-yl) -4,5-dihydrooxazole

Molecular Formula

C8H8N2O

Molecular Weight

148.16

Target Alternative Name

Nicorandil

Product Name Synonym

2- (pyridin-3-yl) -4,5-dihydrooxazole

Chemical Information

Pyridine, 3-(4,5-dihydro-2-oxazolyl)-

CAS Number	40055-37-6
PubChem CID	794242
IUPAC Name	2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
Molecular Formula	C8H8N2O
Molecular Weight	148.16
XLogP	0.4
Topological Polar Surface Area	34.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

C1COC(=N1)C2=CN=CC=C2

InChI

InChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6H,4-5H2

InChIKey

FVASBRDDSBRETH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40055-37-6

CID: 794242

Formula: C8H8N2O

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	148.063662883
Monoisotopic Mass	148.063662883
Topological Polar Surface Area	34.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
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-N031801-01	Nicorandil EP Impurity A
RM-N031832-01	Nicorandil EP Impurity B
RM-N031803-01	Nicorandil EP Impurity C
RM-N031829-01	Nicorandil Impurity 3; Nicotinamide EP Impurity A
RM-N031840-01	Nicorandil Impurity 14 (Nicorandil Trimer)
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole EP Impurity D
RM-C201214-01	Citalopram EP Impurity D; Escitalopram EP Impurity D
RM-L010306-01	Topiramate EP Impurity E; Lactulose EP Impurity D; Glucose EP Impurity D

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