Chemical identity

Mono Acetyl Ertugliflozin

CAS 1298086-20-0 · C24H27ClO8

01Identity

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

Lazychem IDLC-20563
PubChem CID52931642
NameMono Acetyl Ertugliflozin
CAS RN1298086-20-0
Molecular formulaC24H27ClO8
Molecular weight478.92 g/mol
IUPAC name((1R,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl)methyl Acetate
InChIKeyYSICZZVPFCEWEX-LKTXNROYSA-N

02Structure identifiers

2D structurePubChem CID 52931642
Two-dimensional chemical structure of Mono Acetyl Ertugliflozin, CAS 1298086-20-0
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
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)COC(=O)C)O)O)O)Cl
InChINot listed
Formula from structureC24H27ClO8
Molecular weight from structure478.92 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 1298086-20-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1298086-20-0 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

Ertugliflozin

View API and impurity family

Other names

  • Ertugliflozin Impurity 11
  • 1298086-20-0
  • ((1R,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl)methyl acetate
  • SCHEMBL1767781
  • CHEMBL3639552
  • YSICZZVPFCEWEX-LKTXNROYSA-N
  • BDBM119377
  • G87571
  • US8669380, 3
  • Acetic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydoxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester
  • Acetic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydroxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester

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