Identità

Sofosbuvir Methylene Impurity

CAS 863329-63-9 · C31H25N3O7

01Identità

Lazychem IDLC-28293
CAS RN863329-63-9
PubChem CID11786168
Molecular formulaC31H25N3O7
Molecular weight551.55 g/mol
IUPAC name(2R,3S,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-methylenetetrahydrofuran-3-yl benzoate
InChIKeyGYBGOHQHURYWRS-MAARLIENSA-N

02Struttura u stereokimika

2D structurePubChem CID 11786168
Two-dimensional chemical structure of Sofosbuvir Methylene Impurity, CAS 863329-63-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines0
SMILESC=C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChIMhux elenkat

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status fl-Indja

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Ismijiet u relazzjonijiet

API u mediċina prinċipali

Sofosbuvir

Impuritajiet u komposti relatati

Ismijiet u relazzjonijiet

  • (2R,3S,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-methylenetetrahydrofuran-3-yl benzoate
  • 863329-63-9
  • Sofosbuvir Impurity 4
  • N4,3',5'-Tribenzoyl,2'-deoxy-2'-methylene Cytidine
  • [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-methylideneoxolan-2-yl]methyl benzoate
  • N-Benzoyl-2'-deoxy-2'-methylenecytidine 3',5'-Dibenzoate
  • QW26UXL38H
  • (2R,3S,5R)-5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-[(benzoyloxy)methyl]-4-methylideneoxolan-3-yl benzoate
  • CS-M2329
  • Cytidine, N-benzoyl-2^-deoxy-2^-methylene-,3^,5^-dibenzoate(9CI)
  • MFCD26961022
  • AKOS027255139

Impuritajiet u komposti relatati

06Sorsi