Identitet

Sofosbuvir IP Impurity A / Sofosbuvir (R)-Phosphate / Sofosbuvir Rp-Isomer

CAS 1190308-01-0 · C22H29FN3O9P

01Identitet

Lazychem IDLC-28289
CAS RN1190308-01-0
PubChem CID45375809
Molecular formulaC22H29FN3O9P
Molecular weight529.45 g/mol
IUPAC namePropan-2-yl N-[(R)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}phenoxyphosphoryl]-L-alaninate
InChIKeyTTZHDVOVKQGIBA-YBSJRAAASA-N

02Struktur og stereokemi

2D structurePubChem CID 45375809
Two-dimensional chemical structure of Sofosbuvir IP Impurity A / Sofosbuvir (R)-Phosphate / Sofosbuvir Rp-Isomer, CAS 1190308-01-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count3
Secondary amines0
Tertiary amines0
SMILESC[C@@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChIIkke angivet

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

14 records

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.

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 i Indien

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

05Navne og relationer

API og moderlægemiddel

Sofosbuvir

Urenheder og beslægtede forbindelser

Navne og relationer

  • Sofosbuvir IP Impurity A
  • Sofosbuvir (R)-Phosphate / Sofosbuvir Rp-Isomer
  • Psi-7976
  • 1190308-01-0
  • V14CN8M621
  • UNII-V14CN8M621
  • L-Alanine, N-((p(R),2'R)-2'-deoxy-2'-fluoro-2'-methyl-p-phenyl-5'-uridylyl)-, 1-methylethyl ester
  • RefChem:177035
  • isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
  • SCHEMBL2535737
  • CHEMBL1259058
  • DTXSID301025684

Urenheder og beslægtede forbindelser

06Kilder