Milrinone Impurity A

CAT: 1299-RM-M121801-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M121801-02Size:25 mg

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CAS Number

80047-24-1

Synonyms

2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxamide

Molecular Formula

C12H11N3O2

Molecular Weight

229.23

Target Alternative Name

Milrinone

Product Name Synonym

2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxamide

Chemical Information

1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carboxamide

CAS Number	80047-24-1
PubChem CID	12799331
IUPAC Name	6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
Molecular Formula	C12H11N3O2
Molecular Weight	229.23
XLogP	-0.3
Topological Polar Surface Area	85.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	417

SMILES

CC1=C(C=C(C(=O)N1)C(=O)N)C2=CC=NC=C2

InChI

InChI=1S/C12H11N3O2/c1-7-9(8-2-4-14-5-3-8)6-10(11(13)16)12(17)15-7/h2-6H,1H3,(H2,13,16)(H,15,17)

InChIKey

SWKVSFPUHCMFJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80047-24-1

CID: 12799331

Formula: C12H11N3O2

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.085126602
Monoisotopic Mass	229.085126602
Topological Polar Surface Area	85.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	417
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-M121800-01	Milrinone
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RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-D160722-01	Dapagliflozin Impurity POE (hydroperoxy impurity)
RM-R210211-01	Rivaroxaban Impurity Iv (Potential Impurity)
RM-R210212-01	Rivaroxaban Impurity V (Potential Impurity)
RM-P180519-01	Prilocaine Impurity 19; Lidocaine Impurity A