Chemical identity

2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate

CAS 197895-54-8 · C15H18Cl3NO10

01Identity

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

Lazychem IDLC-02176
PubChem CID14505202
Name2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
CAS RN197895-54-8
Molecular formulaC15H18Cl3NO10
Molecular weight478.66 g/mol
IUPAC name2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
InChIKeyKWNIVSQDHXVNAL-OBBGECFZSA-N

02Structure identifiers

2D structurePubChem CID 14505202
Two-dimensional chemical structure of 2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate, CAS 197895-54-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, 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 count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C
InChINot listed
Formula from structureC15H18Cl3NO10
Molecular weight from structure478.66 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 197895-54-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 197895-54-8 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

Glucuronic Acid

View API and impurity family

Other names

  • (+)-Dextromethorphan N-Oxide
  • (17RS)-ent-3-Methoxy-17-methylmorphinan 17-oxide
  • (2S,3S,4S,5R,6S)-2-(Methoxycarbonyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • 197895-54-8
  • methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate
  • Methyl-(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl trichloroacetimidate)uronate
  • 2,3,4-Tri-O-acetyl-b-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
  • 2,3,4-Tri-O-acetyl-b-D-glucuronide methyl ester trichloroacetimidate
  • SCHEMBL4450526
  • DTXSID70561077
  • 2,3,4-Tri-O-acetyl-?-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
  • Methyl-(2,3,4-tri-O-acetyl-b-D-glucopyranosyl trichloroacetimidate)uronate

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