4-[4-[(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone

• CAS: 446292-08-6
• Catalog Number: ACM446292086
• Category: Steroidal Compounds
• Molecular Weight: 421.41
• Molecular Formula: C₂₂H₁₉N₃O₆
• Synonyms: (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)-dione
• IUPAC Name: 2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
• Canonical SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN4C(=O)C5=CC=CC=C5C4=O
• InChI Key: KUQNYAUTIWQAKY-MRXNPFEDSA-N
• Boiling Point: 702.933ºC at 760 mmHg
• Flash Point: 378.92ºC
• Density: 1.466 g/cm³
• Appearance: White Solid
• EC Number: 610-201-0
• Exact Mass: 421.12700

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C22H19N3O6.

What is the molecular weight of the compound?

The molecular weight of the compound is 421.4 g/mol.

What are the synonyms of the compound?

The synonyms of the compound are 446292-08-6, (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)-dione, and Rivaroxaban Impurity 9.

When was the compound created and last modified?

The compound was created on October 26, 2006, and last modified on November 25, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is KUQNYAUTIWQAKY-MRXNPFEDSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN4C(=O)C5=CC=CC=C5C4=O.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 1325210-64-7
• 161596-47-0

• 446292-08-6

Reference: [1] Patent: EP2837628, 2015, A1, . Location in patent: Paragraph 0029

Upstream Synthesis Route 2

• 446292-07-5
• 32315-10-9

• 446292-08-6

Reference: [1] Patent: CN104016975, 2017, B, . Location in patent: Paragraph 0098-0101

Upstream Synthesis Route 3

• 136918-14-4
• 1117893-60-3

• 446292-08-6

Reference: [1] Patent: CN105777734, 2016, A, . Location in patent: Paragraph 0014

Upstream Synthesis Route 4

• 446292-07-5
• 530-62-1

• 446292-08-6

Reference: [1]Patent: US2005/182055,2005,A1 .Location in patent: Page/Page column 1; 3

Downstream Synthesis Route 1

• 446292-08-6

• 446292-10-0

Reference: [1]Journal of Heterocyclic Chemistry,2018,vol. 55,p. 2852 - 2858

* For details of the synthesis route, please refer to the original source to ensure accuracy.