Chemical identity

(r)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

CAS 2194590-02-6 · C17H16ClIO2

01Identity

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

Lazychem IDLC-13962
PubChem CID15941042
Name(r)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
CAS RN2194590-02-6
Molecular formulaC17H16ClIO2
Molecular weight414.67 g/mol
IUPAC name(R)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
InChIKeyYLUHNGIWRCCQMQ-MRXNPFEDSA-N

02Structure identifiers

2D structurePubChem CID 15941042
Two-dimensional chemical structure of (r)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran, CAS 2194590-02-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1COC[C@@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)I)Cl
InChINot listed
Formula from structureC17H16ClIO2
Molecular weight from structure414.67 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 2194590-02-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2194590-02-6 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

Empagliflozin

View API and impurity family

Other names

  • Empagliflozin Impurity 10
  • (r)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
  • 2194590-02-6
  • (3R)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]oxolane
  • (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan
  • QNH6TN4XWD
  • Empagliflozin Impurity E
  • SCHEMBL3465613
  • AC-28810
  • CS-0165048
  • F88926
  • F980939

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