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Basic information
- CAS
1265617-06-8- Standard SMILES
O=C1c2ccccc2C(=O)N1CC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1- InChIKey
KUQNYAUTIWQAKY-UHFFFAOYSA-N- Molecular formula
- C22H19N3O6
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.12738533
Names & identifiers
- Preferred name
- 2-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
- English name
- Rivaroxaban Impurity 31
- Molecular formula
- C22H19N3O6
- Molecular weight
- 421.4
Names & synonyms
1265617-06-82-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dioneRivaroxaban Impurity 113SCHEMBL460444SCHEMBL30146333DTXSID706232404-[4-[(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinoneKUQNYAUTIWQAKY-UHFFFAOYSA-NAKOS032947492SB198012-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dioneIO183175
Show more names
Rivaroxaban Impurity 2452-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-[[2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-
Rivaroxaban Impurity 104Enantiomer MixtureNS00001289(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)-oxazolidin-5-yl)methyl)isoindoline-1,3-dione2-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl]isoindoline-1,3-dione2-{2-Oxo-3-[4-(3-oxo-morpholin-4-yl)-phenyl]-oxazolidin-5-ylmethyl}-isoindole-1,3-dione(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione2-[[2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
1265617-06-8- PubChem CID
- 22174751
- DTXSID
DTXSID70623240
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Boiling point
- 702.9 · 702.9±55.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- 0.99 · 0.99±0.20(Predicted)
Chemistry & industry
Suppliers10 total
天津始加生物医药科技有限公司15022261580 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
3 records
Compound notes
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