Chemical identity

Capecitabine EP Impurity E /Capecitabine 3-Methylbutyloxy Impurity

CAS 162204-30-0 · C15H22FN3O6

01Identity

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

Lazychem IDLC-09318
PubChem CID54201881
NameCapecitabine EP Impurity E /Capecitabine 3-Methylbutyloxy Impurity
CAS RN162204-30-0
Molecular formulaC15H22FN3O6
Molecular weight359.35
IUPAC name5′-Deoxy-5-fluoro-N4-(3-methylbutyloxycarbonyl)cytidine
InChIKeyPPVCPOIDSSQXMR-UORFTKCHSA-N

02Structure identifiers

2D structurePubChem CID 54201881
Two-dimensional chemical structure of Capecitabine EP Impurity E /Capecitabine 3-Methylbutyloxy Impurity, CAS 162204-30-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O
InChINot listed
Formula from structureC15H22FN3O6
Molecular weight from structure359.35

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 162204-30-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 162204-30-0 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

  • Capecitabine EP Impurity E
  • Capecitabine 3-Methylbutyloxy Impurity
  • [1-(5-Deoxy-?-D-ribofuranosyl)-5-fluoro-1, 2-dihydro-2-oxo-4-pyrimidinyl]-carbamic Acid 3-Methylbutyl Ester
  • 5'-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine
  • 5'-Deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine
  • 162204-30-0
  • UNII-T83E758HO7
  • T83E758HO7
  • Cytidine, 5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]-
  • DTXSID50167334
  • CARBAMIC ACID, (1-(5-DEOXY-.BETA.-D-RIBOFURANOSYL)-5-FLUORO-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-, 3-METHYLBUTYL ESTER
  • RefChem:100790

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