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Apixaban-d3

CAT: 1459-CS-T-66655Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-66655Size:1 Each
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Description
Apixaban-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Apixaban. The product is supplied by Clearsynth under CAT No. CS-T-66655. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Apixaban-d3 is labelled Apixaban which is a potent, direct, selective, and orally active inhibitor of coagulation factor Xa. It is a potential new oral coagulant that may be useful prevention of venous thromboembolism in total hip, knee replacement.
CAS Number
1131996-12-7
Synonyms
Apixaban-d3
Molecular Formula
C 25 H 22 D 3 N 5 O 4
Molecular Weight
462.52
Additionnal Information
Apixaban-d3 is supplied with detailed characterization data compliant with regulatory guideline. Apixaban-d3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Apixaban.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Apixaban-d3 is labelled Apixaban which is a potent, direct, selective, and orally active inhibitor of coagulation factor Xa. It is a potential new oral coagulant that may be useful prevention of venous thromboembolism in total hip, knee replacement.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

1-(4-((~2~H_3_)Methyloxy)phenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS Number1131996-12-7
PubChem CID25226058
IUPAC Name7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
Molecular FormulaC25H25N5O4
Molecular Weight462.5
XLogP2.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity777
SMILES
[2H]C([2H])([2H])OC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
InChI
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)/i1D3
InChIKey
QNZCBYKSOIHPEH-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-((~2~H_3_)Methyloxy)phenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS: 1131996-12-7
CID: 25226058
Formula: C25H25N5O4
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass462.20948453
Monoisotopic Mass462.20948453
Topological Polar Surface Area111 Ų
Heavy Atom Count34
Formal Charge0
Complexity777
Isotope Atom Count3
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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