4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride - CAS 898543-06-1
Catalog: |
BB039633 |
Product Name: |
4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride |
CAS: |
898543-06-1 |
Synonyms: |
Des(5-Chloro-2-carboxythienyl) Rivaroxaban Hydrochloride; 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone Hydrochloride; Rivaroxaban Impurity 27; (S)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride |
Related CAS: | 446292-10-0 (free base) |
IUPAC Name: | 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride |
Description: | An impurity of Rivaroxaban. Rivaroxaban inhibits both free Factor Xa and Factor Xa bound in the prothrombinase complex. It is a highly selective direct Factor Xa inhibitor with oral bioavailability and rapid onset of action. |
Molecular Weight: | 327.76 |
Molecular Formula: | C14H18ClN3O4 |
Canonical SMILES: | C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN.Cl |
InChI: | InChI=1S/C14H17N3O4.ClH/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18;/h1-4,12H,5-9,15H2;1H/t12-;/m0./s1 |
InChI Key: | ITMQDYQHNKXERQ-YDALLXLXSA-N |
Melting Point: | >276°C (dec.) |
Purity: | 98.0% |
Solubility: | Soluble in DMSO (Slightly), Water (Slightly) |
Appearance: | White to Off-white Solid |
MDL: | MFCD20133901 |
LogP: | 1.96600 |
GHS Hazard Statement: | H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020158443-A | Method of manufacturing intermediates | 20190327 |
WO-2019163731-A1 | Production method for oxazolidinone compound | 20180226 |
CN-111699184-A | Method for producing oxazolidinone compound | 20180226 |
IL-275443-D0 | Production method for oxazolidinane compound | 20180226 |
JP-WO2019163731-A1 | Method for producing oxazolidinone compound | 20180226 |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.0985838 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.0985838 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 85.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Morpholines/Thiomorpholines
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