Apixaban Impurity E

CAT: 1596-AR-A04635-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A04635-01Size:10 Units

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CAS Number

1609409-53-1

Synonyms

Ethyl 1,2,5,6-tetrahydro-3-hydroxy-α,2-dioxo-1-[4- (2-oxo-1-piperidinyl) phenyl]-4-pyridineacetate

Molecular Formula

C20H22N2O6

Molecular Weight

386.40

API Name

Apixaban

Chemical Information

Ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate

CAS Number	1609409-53-1
PubChem CID	90154880
IUPAC Name	ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate
Molecular Formula	C20H22N2O6
Molecular Weight	386.4
XLogP	1.9
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	693

SMILES

CCOC(=O)C(=O)C1=C(C(=O)N(CC1)C2=CC=C(C=C2)N3CCCCC3=O)O

InChI

InChI=1S/C20H22N2O6/c1-2-28-20(27)18(25)15-10-12-22(19(26)17(15)24)14-8-6-13(7-9-14)21-11-4-3-5-16(21)23/h6-9,24H,2-5,10-12H2,1H3

InChIKey

FQMBRRSOHCEQJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1609409-53-1

CID: 90154880

Formula: C20H22N2O6

MW: 386.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	386.14778643
Monoisotopic Mass	386.14778643
Topological Polar Surface Area	104 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	693
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