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Apixaban Impurity 32

CAT: 1596-AR-A02290-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02290-02Size:25 Units
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CAS Number
1998079-16-5
Synonyms
1,2-bis (4- (3-morpholino-2-oxo-5,6-dihydropyridin-1 (2H) -yl) phenyl) diazene oxide
Molecular Formula
C30H34N6O5
Molecular Weight
558.64
API Name
Apixaban

Chemical Information

(Z)-1,2-Bis(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2H)-yl)phenyl)diazene 1-oxide
CAS Number1998079-16-5
PubChem CID122509375
IUPAC Name[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]imino-oxidoazanium
Molecular FormulaC30H34N6O5
Molecular Weight558.6
XLogP2.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1030
SMILES
C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)N=[N+](C4=CC=C(C=C4)N5CCC=C(C5=O)N6CCOCC6)[O-]
InChI
InChI=1S/C30H34N6O5/c37-29-27(32-15-19-40-20-16-32)3-1-13-34(29)24-7-5-23(6-8-24)31-36(39)26-11-9-25(10-12-26)35-14-2-4-28(30(35)38)33-17-21-41-22-18-33/h3-12H,1-2,13-22H2
InChIKey
JJATWDMEPIPSSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Z)-1,2-Bis(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2H)-yl)phenyl)diazene 1-oxide
CAS: 1998079-16-5
CID: 122509375
Formula: C30H34N6O5
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass558.25906821
Monoisotopic Mass558.25906821
Topological Polar Surface Area107 Ų
Heavy Atom Count41
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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