for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Apixaban-13C, d3 is labeled Apixaban . Apixaban is a potent, direct, selective, and orally active inhibitor of coagulation factor Xa.
| Canonical Smiles | COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N |
|---|---|
| IUPAC Name | 7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuterio(113C)methoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide |
| InChIKey | QNZCBYKSOIHPEH-KQORAOOSSA-N |
| 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)/i1+1D3 |
| Isomeric SMILES | [2H][13C]([2H])([2H])OC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N |
| Molecular Weight | 463.51 |
| Reaxy-Rn | 11244786 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11244786&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Phenylpyrazoles Pyridinecarboxamides Methoxyanilines 2-heteroaryl carboxamides Pyrazole-5-carboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Piperidinones Delta lactams Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - Phenylpyrazole - Pyridinecarboxamide - Methoxyaniline - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Anisole - Pyrazole-5-carboxamide - Methoxybenzene - Delta-lactam - Alkyl aryl ether - Piperidinone - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Tertiary carboxylic acid amide - Tertiary amine - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 463.500 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 463.213 Da |
| Monoisotopic Mass | 463.213 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 777.000 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
