Chemical identity

Capecitabine 3-O-BDR Impurity

CAS 1262133-64-1 · C20H30FN3O9

01Identity

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

Lazychem IDLC-09311
PubChem CID58434490
NameCapecitabine 3-O-BDR Impurity
CAS RN1262133-64-1
Molecular formulaC20H30FN3O9
Molecular weight475.47 g/mol
IUPAC name2′,3′-Di-O-acetyl-5′-deoxy-5-fluorocytidine ; 3-O-(5-Deoxy-β-D-ribofuranosyl) Capecitabine
InChIKeyVTELESLWOUWJLQ-YXUPXXBNSA-N

02Structure identifiers

2D structurePubChem CID 58434490
Two-dimensional chemical structure of Capecitabine 3-O-BDR Impurity, CAS 1262133-64-1
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 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O[C@H]3[C@@H]([C@@H]([C@H](O3)C)O)O)O
InChINot listed
Formula from structureC20H30FN3O9
Molecular weight from structure475.47 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 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.

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 / RCSNO EXACT MATCH FOUNDCAS 1262133-64-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1262133-64-1 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Capecitabine

View API and impurity family

Other names

  • 5'-Deoxy-3'-O-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-N-((pentyloxy)carbonyl)cytidine
  • 1262133-64-1
  • UNII-VM12IM6XJA
  • VM12IM6XJA
  • Cytidine, 5'-deoxy-3'-O-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-N-((pentyloxy)carbonyl)-
  • (1-(5-Deoxy-3-O-(5-deoxy-beta-D-ribofuranosyl)-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)-carbamic acid pentyl ester
  • RefChem:198801
  • 3'-O-(5'-Deoxy-b-D-ribofuranosyl) Capecitabine
  • pentyl N-[1-[(2R,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
  • 3'-O-(5'-Deoxy-Beta-D-ribofuranosyl) Capecitabine
  • Capecitabine Impurity 9
  • 3'-(5'-Deoxy-Beta-D-ribofuranoyl) Capecitabine

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