Chemical identity

Sofosbuvir Methylene Impurity

CAS 863329-63-9 · C31H25N3O7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-28293
PubChem CID11786168
NameSofosbuvir Methylene Impurity
CAS RN863329-63-9
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

02Structure identifiers

2D structurePubChem CID 11786168
2D structure: Sofosbuvir Methylene Impurity, CAS 863329-63-9
Structure of Sofosbuvir Methylene Impurity (CAS 863329-63-9). LazyChem record. Source identity: PubChem CID 11786168. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC31H25N3O7
InChIKeyGYBGOHQHURYWRS-MAARLIENSA-N
Ring count5
Defined stereocentres3
Unassigned stereocentres0
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
InChIInChI=1S/C31H25N3O7/c1-20-26(41-30(37)23-15-9-4-10-16-23)24(19-39-29(36)22-13-7-3-8-14-22)40-28(20)34-18-17-25(33-31(34)38)32-27(35)21-11-5-2-6-12-21/h2-18,24,26,28H,1,19H2,(H,32,33,35,38)/t24-,26+,28-/m1/s1

03Stereochemistry

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

Defined stereocentres32D structure
Unassigned stereocentres02D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 863329-63-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 863329-63-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Sofosbuvir

View API and impurity family

Other names

  • 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
  • (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)

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources