Chemical identity

Monoacetyl Canagliflozine

CAS 2146135-87-5 · C26H27FO6S

01Identity

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

Lazychem IDLC-20577
PubChem CID138958263
NameMonoacetyl Canagliflozine
CAS RN2146135-87-5
Molecular formulaC26H27FO6S
Molecular weight486.55 g/mol
IUPAC name((2R,3S,4R,5R,6S)-6-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl Acetate
InChIKeyRXTZJMBUUNMILB-ZGLCYIBRSA-N

02Structure identifiers

2D structurePubChem CID 138958263
Two-dimensional chemical structure of Monoacetyl Canagliflozine, CAS 2146135-87-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
InChINot listed
Formula from structureC26H27FO6S
Molecular weight from structure486.55 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 2146135-87-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2146135-87-5 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

Canagliflozine

View API and impurity family

Other names

  • Canagliflozin monoacetyl impurity
  • 2146135-87-5
  • ((2R,3S,4R,5R,6S)-6-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
  • NB28TTE9TA
  • UNII-NB28TTE9TA
  • ((2S,3R,4S,5S,6R)-6-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-3,4,5-trihydroxytetrahydro-2hpyran-2-yl)methyl acetate
  • Canagliflozin Impurity 16
  • Canagliflozin Impurity 22
  • CS-0009422
  • F78353
  • F600602
  • D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 6-acetate, (1S)- (ACI)

Related records from the same parent family

No related records are linked by parent name.

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