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4-Demethoxy-4-hydroxy Apixaban

CAT: 0572-TRC-D231405-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D231405-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
503612-76-8
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NC(=O)c1nn(c2ccc(O)cc2)c3C(=O)N(CCc13)c4ccc(cc4)N5CCCCC5=O
Molecular Formula
C24 H23 N5 O4
Molecular Weight
445.47
InChI
InChI=1S/C24H23N5O4/c25-23(32)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)31)24(33)22(19)29(26-21)17-8-10-18(30)11-9-17/h4-11,30H,1-3,12-14H2,(H2,25,32)
Additionnal Information
IUPAC name: 1-(4-hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,5,6,7-Tetrahydro-1-(4-hydroxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS Number503612-76-8
PubChem CID10203943
IUPAC Name1-(4-hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
Molecular FormulaC24H23N5O4
Molecular Weight445.5
XLogP1.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity762
SMILES
C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)O
InChI
InChI=1S/C24H23N5O4/c25-23(32)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)31)24(33)22(19)29(26-21)17-8-10-18(30)11-9-17/h4-11,30H,1-3,12-14H2,(H2,25,32)
InChIKey
HGHLWAZFIGRAOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5,6,7-Tetrahydro-1-(4-hydroxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS: 503612-76-8
CID: 10203943
Formula: C24H23N5O4
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass445.17500423
Monoisotopic Mass445.17500423
Topological Polar Surface Area122 Ų
Heavy Atom Count33
Formal Charge0
Complexity762
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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Alternative Products

CatalogName
sc-4995224-Demethoxy-4-hydroxy apixaban
461835-01P-Demethoxy p-Chloro Apixaban
452051-01Hydroxy Apixaban
GTR19280914-01Apixaban impurity 4
AR-A07617-014-Cyclohexylmethoxy Apixaban Impurity
AR-A02256-01Apixaban Related Compound 4
433638-014,5-Dehydro Apixaban
HY-77967RApixaban impurity 4 (Standard)
AR-A07615-014-Benzyloxy Apixaban Impurity
AR-A02261-01Hydroxy O-Demethyl Apixaban

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