Chemical identity

O-Desphenyl Sofosbuvir

CAS 1233335-82-4 · C16H25FN3O9P

01Identity

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

Lazychem IDLC-23845
PubChem CID129083214
NameO-Desphenyl Sofosbuvir
CAS RN1233335-82-4
Molecular formulaC16H25FN3O9P
Molecular weight453.4 g/mol
IUPAC nameIsopropyl ((((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)-L-alaninate
InChIKeyIPNWIJCJSQLNQC-BDQOCJAMSA-N

02Structure identifiers

2D structurePubChem CID 129083214
2D structure: O-Desphenyl Sofosbuvir, CAS 1233335-82-4
Structure of O-Desphenyl Sofosbuvir (CAS 1233335-82-4). LazyChem record. Source identity: PubChem CID 129083214. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H25FN3O9P
InChIKeyIPNWIJCJSQLNQC-BDQOCJAMSA-N
Ring count2
Defined stereocentres5
Unassigned stereocentres1
SMILESC[C@@H](C(=O)OC(C)C)NP(=O)(O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O
InChIInChI=1S/C16H25FN3O9P/c1-8(2)28-13(23)9(3)19-30(25,26)27-7-10-12(22)16(4,17)14(29-10)20-6-5-11(21)18-15(20)24/h5-6,8-10,12,14,22H,7H2,1-4H3,(H,18,21,24)(H2,19,25,26)/t9-,10+,12+,14+,16+/m0/s1

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 1233335-82-4 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 1233335-82-4 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

  • (2S)-isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)amino)propanoate
  • [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]phosphonamidic acid
  • Sofosbuvir Impurity 125
  • {[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}({[(2S)-1-oxo-1-(propan-2-yloxy)propan-2-yl]amino})phosphinic acid
  • N-[(2'R)-2'-Deoxy-2'-fluoro-2'-methyl-5'-uridylyl]-1-(1-methylethyl) Ester L-Alanine
  • CS-0010938

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