Chemical identity

Digoxin EP Impurity J/ β-Acetyl Digoxin

CAS 5355-48-6 · C43H66O15

01Identity

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

Lazychem IDLC-12929
PubChem CID10350481
NameDigoxin EP Impurity J/ β-Acetyl Digoxin
CAS RN5355-48-6
Molecular formulaC43H66O15
Molecular weight822.98 g/mol
IUPAC name(3β,5β,12β)-3-[(O-4-O-Αcetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(14)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(14)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
InChIKeyNREAGDHHMSOWKZ-DXJNJSHLSA-N

02Structure identifiers

2D structurePubChem CID 10350481
Two-dimensional chemical structure of Digoxin EP Impurity J/ β-Acetyl Digoxin, CAS 5355-48-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aliphatic carbon, has 21 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres21
Unassigned stereocentres0
Ring count8
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O
InChINot listed
Formula from structureC43H66O15
Molecular weight from structure822.98 g/mol

03Stereochemistry

The published structure contains 21 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres21Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^21Before 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 / RCSNO EXACT MATCH FOUNDCAS 5355-48-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 5355-48-6 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

Digoxin

View API and impurity family

Other names

  • Digoxin EP Impurity J
  • β-Acetyl Digoxin
  • beta-Acetyldigoxin
  • 5355-48-6
  • Novodigal
  • Kardiamed
  • Longdigox
  • Stillacor
  • 4'''-Acetyldigoxin
  • P7K44M64CW
  • DTXSID30201760
  • [(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate

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